N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide

C29H40N4O3 — CID 138403854

IUPACN-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide
SMILESCCCCC1(c2ccccc2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCC2CNCN2)C1
InChIInChI=1S/C29H40N4O3/c1-3-4-16-29(23-8-6-5-7-9-23)19-33(20-29)28(35)26(17-22-10-13-25(36-2)14-11-22)32-27(34)15-12-24-18-30-21-31-24/h5-11,13-14,24,26,30-31H,3-4,12,15-21H2,1-2H3,(H,32,34)/t24?,26-/m1/s1
InChIKeySFAOAECDUHMTCA-JUERFOTFSA-N
MW492.66 g/mol
LogP2.99
Rot. Bonds12

About N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide

N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide (PubChem CID 138403854) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide
PubChem CID138403854
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC NameN-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide
SMILESCCCCC1(c2ccccc2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCC2CNCN2)C1
InChIInChI=1S/C29H40N4O3/c1-3-4-16-29(23-8-6-5-7-9-23)19-33(20-29)28(35)26(17-22-10-13-25(36-2)14-11-22)32-27(34)15-12-24-18-30-21-31-24/h5-11,13-14,24,26,30-31H,3-4,12,15-21H2,1-2H3,(H,32,34)/t24?,26-/m1/s1
InChIKeySFAOAECDUHMTCA-JUERFOTFSA-N
XLogP2.99
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
The IUPAC name of N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide (CID 138403854) is N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide.
What is the SMILES notation for N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
The canonical SMILES for N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide is CCCCC1(c2ccccc2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCC2CNCN2)C1.
What is the InChIKey of N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
The InChIKey is SFAOAECDUHMTCA-JUERFOTFSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-3-4-16-29(23-8-6-5-7-9-23)19-33(20-29)28(35)26(17-22-10-13-25(36-2)14-11-22)32-27(34)15-12-24-18-30-21-31-24/h5-11,13-14,24,26,30-31H,3-4,12,15-21H2,1-2H3,(H,32,34)/t24?,26-/m1/s1.
What are the key properties of N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide has a molecular weight of 492.66 g/mol, XLogP of 2.99, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-butyl-3-phenylazetidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide is sourced from PubChem (CID 138403854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).