2-(benzylamino)-4,4-dimethylpentanamide

C14H22N2O — CID 62949870

IUPAC2-(benzylamino)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(NCc1ccccc1)C(N)=O
InChIInChI=1S/C14H22N2O/c1-14(2,3)9-12(13(15)17)16-10-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H2,15,17)
InChIKeyMTSCHLMIYBLBKV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds5

About 2-(benzylamino)-4,4-dimethylpentanamide

2-(benzylamino)-4,4-dimethylpentanamide (PubChem CID 62949870) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(benzylamino)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(benzylamino)-4,4-dimethylpentanamide
PubChem CID62949870
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(benzylamino)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(NCc1ccccc1)C(N)=O
InChIInChI=1S/C14H22N2O/c1-14(2,3)9-12(13(15)17)16-10-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H2,15,17)
InChIKeyMTSCHLMIYBLBKV-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)butanamide
CID 131998527
2-anilino-4,4-dimethylpentanamide
CID 62950049
2-(benzylamino)-5,5,5-trifluoropentanamide
CID 67121979
tert-butyl N-[4-amino-3-(benzylamino)-4-oxobutyl]carbamate
CID 102730645
3-(benzylamino)-6,6-difluoro-5,5-dimethylhexan-2-one
CID 167608040
benzyl (5S)-2,6-diamino-5-(benzylamino)-6-oxohexanoate
CID 54161606
methyl (2R)-2-(benzylamino)-3-sulfanylpropanoate
CID 21155893
(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 7020253
[2-(benzylamino)-3,3-dimethylbutyl] carbamate
CID 91176107
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
ethane;methyl 2-(benzylamino)propanoate
CID 91349755

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4,4-dimethylpentanamide?
The IUPAC name of 2-(benzylamino)-4,4-dimethylpentanamide (CID 62949870) is 2-(benzylamino)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(benzylamino)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(benzylamino)-4,4-dimethylpentanamide is CC(C)(C)CC(NCc1ccccc1)C(N)=O.
What is the InChIKey of 2-(benzylamino)-4,4-dimethylpentanamide?
The InChIKey is MTSCHLMIYBLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)9-12(13(15)17)16-10-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H2,15,17).
What are the key properties of 2-(benzylamino)-4,4-dimethylpentanamide?
2-(benzylamino)-4,4-dimethylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4,4-dimethylpentanamide is sourced from PubChem (CID 62949870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).