N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide

C15H21ClN2O — CID 54871076

IUPACN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CNC1CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)18(15(19)9-17-14-6-7-14)10-12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3
InChIKeyGRHUVTLBGQYBTI-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.83
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide

N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide (PubChem CID 54871076) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
PubChem CID54871076
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CNC1CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)18(15(19)9-17-14-6-7-14)10-12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3
InChIKeyGRHUVTLBGQYBTI-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
CID 54871025
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
2-(cyclopropylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 54946285
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
CID 62431547
N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
CID 86927049
2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133263009
N-[(3-chlorophenyl)methyl]-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66426574

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide (CID 54871076) is N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)CNC1CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide?
The InChIKey is GRHUVTLBGQYBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)18(15(19)9-17-14-6-7-14)10-12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide?
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide has a molecular weight of 280.80 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 54871076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).