N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide

C25H24N2O3 — CID 44578499

IUPACN-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-16-3-4-19(25(29)27-20-9-10-20)15-23(16)17-5-7-18(8-6-17)24(28)26-21-11-13-22(30-2)14-12-21/h3-8,11-15,20H,9-10H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMKOFLNWEPYSITR-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.82
Rot. Bonds6

About N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide

N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide (PubChem CID 44578499) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
PubChem CID44578499
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-16-3-4-19(25(29)27-20-9-10-20)15-23(16)17-5-7-18(8-6-17)24(28)26-21-11-13-22(30-2)14-12-21/h3-8,11-15,20H,9-10H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMKOFLNWEPYSITR-UHFFFAOYSA-N
XLogP4.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
GR-103691
CID 4302960
(S)-3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide
CID 9909448
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
N-(4-methoxyphenyl)-2-(1-naphthyl)acetamide
CID 835395
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
1-methoxy-N-(4-methoxyphenyl)-2-naphthamide
CID 684458
N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenylphenyl)formamido]propanamide
CID 11306593
(2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]butanamide
CID 23648314

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide (CID 44578499) is N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)cc1.
What is the InChIKey of N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is MKOFLNWEPYSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16-3-4-19(25(29)27-20-9-10-20)15-23(16)17-5-7-18(8-6-17)24(28)26-21-11-13-22(30-2)14-12-21/h3-8,11-15,20H,9-10H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide?
N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 44578499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).