N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide

C22H28N4O2 — CID 71849649

IUPACN-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide
SMILESCN(c1ccccc1NCC(=O)NC(=O)NCc1ccccc1)C1CCCC1
InChIInChI=1S/C22H28N4O2/c1-26(18-11-5-6-12-18)20-14-8-7-13-19(20)23-16-21(27)25-22(28)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14,18,23H,5-6,11-12,15-16H2,1H3,(H2,24,25,27,28)
InChIKeyKBFLZYCCSRHYSA-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.50
Rot. Bonds7

About N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide

N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide (PubChem CID 71849649) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide
PubChem CID71849649
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide
SMILESCN(c1ccccc1NCC(=O)NC(=O)NCc1ccccc1)C1CCCC1
InChIInChI=1S/C22H28N4O2/c1-26(18-11-5-6-12-18)20-14-8-7-13-19(20)23-16-21(27)25-22(28)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14,18,23H,5-6,11-12,15-16H2,1H3,(H2,24,25,27,28)
InChIKeyKBFLZYCCSRHYSA-UHFFFAOYSA-N
XLogP3.50
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopentyl(methyl)amino]anilino]-N-methyl-N-phenylacetamide
CID 71849650
2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
CID 51098899
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119899295
4-[[2-[cyclopentyl(methyl)amino]phenyl]carbamoylamino]butanoic acid
CID 122086913
N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 26439790
1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
CID 86924684
N-(benzylcarbamoyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60510233
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]butanamide
CID 119899319
2-[[3-(benzylcarbamoylamino)-3-oxopropyl]-cyclopropylamino]propanoic acid
CID 122100535
N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 55476313

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide (CID 71849649) is N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide is CN(c1ccccc1NCC(=O)NC(=O)NCc1ccccc1)C1CCCC1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide?
The InChIKey is KBFLZYCCSRHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-26(18-11-5-6-12-18)20-14-8-7-13-19(20)23-16-21(27)25-22(28)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14,18,23H,5-6,11-12,15-16H2,1H3,(H2,24,25,27,28).
What are the key properties of N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide?
N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide is sourced from PubChem (CID 71849649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).