N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide

C24H28N4O3 — CID 32976847

IUPACN-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NC2CC2)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H28N4O3/c29-22(16-25-20-9-7-18(8-10-20)23(30)27-21-11-12-21)26-15-17-3-5-19(6-4-17)24(31)28-13-1-2-14-28/h3-10,21,25H,1-2,11-16H2,(H,26,29)(H,27,30)
InChIKeyMHXYVLFHRLDZIK-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.54
Rot. Bonds8

About N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide

N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide (PubChem CID 32976847) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide
PubChem CID32976847
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NC2CC2)cc1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H28N4O3/c29-22(16-25-20-9-7-18(8-10-20)23(30)27-21-11-12-21)26-15-17-3-5-19(6-4-17)24(31)28-13-1-2-14-28/h3-10,21,25H,1-2,11-16H2,(H,26,29)(H,27,30)
InChIKeyMHXYVLFHRLDZIK-UHFFFAOYSA-N
XLogP2.54
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109043261
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841382
2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
CID 54835172
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 119919764
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide (CID 32976847) is N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide is O=C(CNc1ccc(C(=O)NC2CC2)cc1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide?
The InChIKey is MHXYVLFHRLDZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22(16-25-20-9-7-18(8-10-20)23(30)27-21-11-12-21)26-15-17-3-5-19(6-4-17)24(31)28-13-1-2-14-28/h3-10,21,25H,1-2,11-16H2,(H,26,29)(H,27,30).
What are the key properties of N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide?
N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]amino]benzamide is sourced from PubChem (CID 32976847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).