2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide

C21H27N3O2 — CID 60588161

IUPAC2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C1CC1)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c1-3-12-22-21(26)23-20(25)14-24(19-10-11-19)15(2)17-9-8-16-6-4-5-7-18(16)13-17/h4-9,13,15,19H,3,10-12,14H2,1-2H3,(H2,22,23,25,26)
InChIKeyKPWDVSHYYZQQPR-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.60
Rot. Bonds7

About 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide

2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide (PubChem CID 60588161) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide
PubChem CID60588161
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C1CC1)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c1-3-12-22-21(26)23-20(25)14-24(19-10-11-19)15(2)17-9-8-16-6-4-5-7-18(16)13-17/h4-9,13,15,19H,3,10-12,14H2,1-2H3,(H2,22,23,25,26)
InChIKeyKPWDVSHYYZQQPR-UHFFFAOYSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-pyridin-4-ylacetamide
CID 86941489
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 55861033
2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 46620951
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 60524200
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111222
3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide
CID 95043843
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145
N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide
CID 56525819
N-(3-methylbutylcarbamoyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593147
N-cyclopropyl-2-methyl-3-(methylamino)-N-(1-naphthalen-2-ylethyl)propanamide;hydrochloride
CID 119749339
4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride
CID 119303592
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8915748

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide (CID 60588161) is 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C1CC1)C(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is KPWDVSHYYZQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-12-22-21(26)23-20(25)14-24(19-10-11-19)15(2)17-9-8-16-6-4-5-7-18(16)13-17/h4-9,13,15,19H,3,10-12,14H2,1-2H3,(H2,22,23,25,26).
What are the key properties of 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide?
2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 60588161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).