N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C30H30ClN3O4 — CID 143528486

IUPACN-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
SMILESCc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC4CC4)cc3)C2=O)c(Cl)c1
InChIInChI=1S/C30H30ClN3O4/c1-18-8-15-25(24(31)16-18)32-28(35)27(19(2)21-6-4-3-5-7-21)34-29(36)26(33-30(34)37)22-11-13-23(14-12-22)38-17-20-9-10-20/h3-8,11-16,19-20,26-27H,9-10,17H2,1-2H3,(H,32,35)(H,33,37)/t19?,26-,27?/m1/s1
InChIKeyMVDIBZLHCMQKKA-HQLCPQQUSA-N
MW532.04 g/mol
LogP5.84
Rot. Bonds9

About N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 143528486) has the molecular formula C30H30ClN3O4 and a molecular weight of 532.04 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
PubChem CID143528486
Molecular FormulaC30H30ClN3O4
Molecular Weight532.04 g/mol
Exact Mass531.19
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
SMILESCc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC4CC4)cc3)C2=O)c(Cl)c1
InChIInChI=1S/C30H30ClN3O4/c1-18-8-15-25(24(31)16-18)32-28(35)27(19(2)21-6-4-3-5-7-21)34-29(36)26(33-30(34)37)22-11-13-23(14-12-22)38-17-20-9-10-20/h3-8,11-16,19-20,26-27H,9-10,17H2,1-2H3,(H,32,35)(H,33,37)/t19?,26-,27?/m1/s1
InChIKeyMVDIBZLHCMQKKA-HQLCPQQUSA-N
XLogP5.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.04
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(2-chloro-4-iodophenyl)-2-[(4R)-4-[4-[(2R)-2-hydroxypropoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 71080722
N-(2-chloro-4-iodophenyl)-2-[(4R)-4-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 140518998
N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 143528380
ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 143528401
2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane
CID 143528394
2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane
CID 143739055
(3S)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-iodo-2-methylphenyl)-3-phenylbutanamide
CID 71080775
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 143528362
(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide
CID 68619985
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 143528439
(3S)-N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 71080794
2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide
CID 143528354

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 143528486) is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC4CC4)cc3)C2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
The InChIKey is MVDIBZLHCMQKKA-HQLCPQQUSA-N. The full InChI is InChI=1S/C30H30ClN3O4/c1-18-8-15-25(24(31)16-18)32-28(35)27(19(2)21-6-4-3-5-7-21)34-29(36)26(33-30(34)37)22-11-13-23(14-12-22)38-17-20-9-10-20/h3-8,11-16,19-20,26-27H,9-10,17H2,1-2H3,(H,32,35)(H,33,37)/t19?,26-,27?/m1/s1.
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 532.04 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(cyclopropylmethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 143528486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).