2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide

C16H25ClN2O — CID 60945851

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
SMILESCCCC(C)(N)C(=O)N(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-9-16(4,18)15(20)19(12(2)3)11-13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,11,18H2,1-4H3
InChIKeyOBCJJNXUXXOXPK-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.59
Rot. Bonds6

About 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide

2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide (PubChem CID 60945851) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
PubChem CID60945851
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
SMILESCCCC(C)(N)C(=O)N(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-5-9-16(4,18)15(20)19(12(2)3)11-13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,11,18H2,1-4H3
InChIKeyOBCJJNXUXXOXPK-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 65227482
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
2-amino-2-methyl-N-propan-2-yl-N-propylpentanamide
CID 60848392
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 63048898
N-tert-butyl-2-[(3-chlorophenyl)methyl-propanoylamino]propanamide
CID 133260357
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide (CID 60945851) is 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide is CCCC(C)(N)C(=O)N(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide?
The InChIKey is OBCJJNXUXXOXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-9-16(4,18)15(20)19(12(2)3)11-13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,11,18H2,1-4H3.
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide?
2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 60945851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).