N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide

C16H24ClNO — CID 58124287

IUPACN-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C16H24ClNO/c1-11(2)14(16(3,4)5)15(19)18-10-12-7-6-8-13(17)9-12/h6-9,11,14H,10H2,1-5H3,(H,18,19)
InChIKeyUIWZRDHAHRKAOU-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.27
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide

N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 58124287) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID58124287
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCc1cccc(Cl)c1)C(C)(C)C
InChIInChI=1S/C16H24ClNO/c1-11(2)14(16(3,4)5)15(19)18-10-12-7-6-8-13(17)9-12/h6-9,11,14H,10H2,1-5H3,(H,18,19)
InChIKeyUIWZRDHAHRKAOU-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
N-[(3-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76946155
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 3957835
1-[(3-chlorophenyl)methyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911577
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide (CID 58124287) is N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NCc1cccc(Cl)c1)C(C)(C)C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is UIWZRDHAHRKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)14(16(3,4)5)15(19)18-10-12-7-6-8-13(17)9-12/h6-9,11,14H,10H2,1-5H3,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide?
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 281.83 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 58124287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).