N',2-dimethylpentanediamide

C7H14N2O2 — CID 21268064

IUPACN',2-dimethylpentanediamide
SMILESCNC(=O)CCC(C)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(7(8)11)3-4-6(10)9-2/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyFPIYJLXJPSEFET-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.37
Rot. Bonds4

About N',2-dimethylpentanediamide

N',2-dimethylpentanediamide (PubChem CID 21268064) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N',2-dimethylpentanediamide.

Molecular Properties

Compound NameN',2-dimethylpentanediamide
PubChem CID21268064
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN',2-dimethylpentanediamide
SMILESCNC(=O)CCC(C)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(7(8)11)3-4-6(10)9-2/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyFPIYJLXJPSEFET-UHFFFAOYSA-N
XLogP-0.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
4-amino-N,5-dimethylhexanamide
CID 102537827
(2S)-N'-hydroxy-2-methylhexanediamide
CID 173132567
N'-(1-cyano-3-methylbutyl)-2-methylpentanediamide
CID 18316717
4-amino-N-methylhexanamide
CID 118906510
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
(2S)-4-amino-2-methylbutanamide
CID 87412339
(2S)-2-(formamidomethyl)-N'-methylpentanediamide
CID 170579266
N'-hydroxy-2-methyloctanediamide
CID 142680471
(2S)-5-[[1-carboxy-4-(methylamino)-4-oxobutyl]amino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 90455527

Frequently Asked Questions

What is the IUPAC name of N',2-dimethylpentanediamide?
The IUPAC name of N',2-dimethylpentanediamide (CID 21268064) is N',2-dimethylpentanediamide.
What is the SMILES notation for N',2-dimethylpentanediamide?
The canonical SMILES for N',2-dimethylpentanediamide is CNC(=O)CCC(C)C(N)=O.
What is the InChIKey of N',2-dimethylpentanediamide?
The InChIKey is FPIYJLXJPSEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(7(8)11)3-4-6(10)9-2/h5H,3-4H2,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of N',2-dimethylpentanediamide?
N',2-dimethylpentanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethylpentanediamide is sourced from PubChem (CID 21268064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).