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

C22H26N4O3 — CID 1065604

IUPACN-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-18-9-6-16(7-10-18)24-22(28)25-17-8-11-20(26-12-2-3-13-26)19(14-17)21(27)23-15-4-5-15/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyLHYJONOUILXIPV-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.83
Rot. Bonds6

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

N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide (PubChem CID 1065604) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
PubChem CID1065604
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-18-9-6-16(7-10-18)24-22(28)25-17-8-11-20(26-12-2-3-13-26)19(14-17)21(27)23-15-4-5-15/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyLHYJONOUILXIPV-UHFFFAOYSA-N
XLogP3.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
5-[(2-bromophenyl)carbamoylamino]-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1065599
5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752999
N-cyclopropyl-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065611
cis-(1R,2S)-2-[[3-[(4-methoxyphenyl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27109489
5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 3321862
N-cyclohexyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42659981
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide (CID 1065604) is N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide is COc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is LHYJONOUILXIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-18-9-6-16(7-10-18)24-22(28)25-17-8-11-20(26-12-2-3-13-26)19(14-17)21(27)23-15-4-5-15/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,27)(H2,24,25,28).
What are the key properties of N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide?
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 394.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1065604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).