N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide

C22H26N4O2 — CID 1065596

IUPACN-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C22H26N4O2/c1-15-4-6-17(7-5-15)24-22(28)25-18-10-11-20(26-12-2-3-13-26)19(14-18)21(27)23-16-8-9-16/h4-7,10-11,14,16H,2-3,8-9,12-13H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyFCMUKDZHRWXZIY-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.13
Rot. Bonds5

About N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide

N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 1065596) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
PubChem CID1065596
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C22H26N4O2/c1-15-4-6-17(7-5-15)24-22(28)25-18-10-11-20(26-12-2-3-13-26)19(14-18)21(27)23-16-8-9-16/h4-7,10-11,14,16H,2-3,8-9,12-13H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyFCMUKDZHRWXZIY-UHFFFAOYSA-N
XLogP4.13
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide 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

N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
5-[(2-bromophenyl)carbamoylamino]-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1065599
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752999
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 3588490
N-cyclopropyl-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065611
N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1067391
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 42757156
5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1063518
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide (CID 1065596) is N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide is Cc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is FCMUKDZHRWXZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-4-6-17(7-5-15)24-22(28)25-18-10-11-20(26-12-2-3-13-26)19(14-18)21(27)23-16-8-9-16/h4-7,10-11,14,16H,2-3,8-9,12-13H2,1H3,(H,23,27)(H2,24,25,28).
What are the key properties of N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 378.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1065596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).