N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide

C24H29N3O2 — CID 171097049

IUPACN-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)C2CC2)c2ccccc2NC(=O)C2CNC2)cc1
InChIInChI=1S/C24H29N3O2/c1-15(2)16-7-9-17(10-8-16)22(27-23(28)18-11-12-18)20-5-3-4-6-21(20)26-24(29)19-13-25-14-19/h3-10,15,18-19,22,25H,11-14H2,1-2H3,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyHRCDXALXSKHGSY-JOCHJYFZSA-N
MW391.52 g/mol
LogP3.58
Rot. Bonds7

About N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide

N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide (PubChem CID 171097049) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
PubChem CID171097049
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)C2CC2)c2ccccc2NC(=O)C2CNC2)cc1
InChIInChI=1S/C24H29N3O2/c1-15(2)16-7-9-17(10-8-16)22(27-23(28)18-11-12-18)20-5-3-4-6-21(20)26-24(29)19-13-25-14-19/h3-10,15,18-19,22,25H,11-14H2,1-2H3,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyHRCDXALXSKHGSY-JOCHJYFZSA-N
XLogP3.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide 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

(2S)-1-acetyl-N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-2-carboxamide
CID 171097020
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-(cyclopropylmethyl)-N-[2-[[(2-fluorocyclopropanecarbonyl)amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097066
1-(cyclopropylmethyl)-N-[2-[(R)-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097053
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 176904217
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide (CID 171097049) is N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide is CC(C)c1ccc([C@@H](NC(=O)C2CC2)c2ccccc2NC(=O)C2CNC2)cc1.
What is the InChIKey of N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide?
The InChIKey is HRCDXALXSKHGSY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15(2)16-7-9-17(10-8-16)22(27-23(28)18-11-12-18)20-5-3-4-6-21(20)26-24(29)19-13-25-14-19/h3-10,15,18-19,22,25H,11-14H2,1-2H3,(H,26,29)(H,27,28)/t22-/m1/s1.
What are the key properties of N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide?
N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 171097049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).