N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide

C23H29N3O3 — CID 52522922

IUPACN-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide
SMILESCO[C@@H](C)c1cccc(NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-16(29-2)17-8-7-11-19(14-17)24-15-22(27)26-21-13-6-5-12-20(21)23(28)25-18-9-3-4-10-18/h5-8,11-14,16,18,24H,3-4,9-10,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyGOWIHPBWHZYOLG-INIZCTEOSA-N
MW395.50 g/mol
LogP4.12
Rot. Bonds8

About N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide (PubChem CID 52522922) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide
PubChem CID52522922
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide
SMILESCO[C@@H](C)c1cccc(NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-16(29-2)17-8-7-11-19(14-17)24-15-22(27)26-21-13-6-5-12-20(21)23(28)25-18-9-3-4-10-18/h5-8,11-14,16,18,24H,3-4,9-10,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyGOWIHPBWHZYOLG-INIZCTEOSA-N
XLogP4.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 25353415
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54832913
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8897970
2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide
CID 18283322
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
CID 60537204
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide (CID 52522922) is N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide is CO[C@@H](C)c1cccc(NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide?
The InChIKey is GOWIHPBWHZYOLG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(29-2)17-8-7-11-19(14-17)24-15-22(27)26-21-13-6-5-12-20(21)23(28)25-18-9-3-4-10-18/h5-8,11-14,16,18,24H,3-4,9-10,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide has a molecular weight of 395.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[3-[(1S)-1-methoxyethyl]anilino]acetyl]amino]benzamide is sourced from PubChem (CID 52522922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).