(2S)-2,4-dimethyl-N-prop-2-enylpentanamide

C10H19NO — CID 59955315

IUPAC(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)[C@@H](C)CC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-11-10(12)9(4)7-8(2)3/h5,8-9H,1,6-7H2,2-4H3,(H,11,12)/t9-/m0/s1
InChIKeyDJFJIJNYUBPHIY-VIFPVBQESA-N
MW169.27 g/mol
LogP1.97
Rot. Bonds5

About (2S)-2,4-dimethyl-N-prop-2-enylpentanamide

(2S)-2,4-dimethyl-N-prop-2-enylpentanamide (PubChem CID 59955315) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
PubChem CID59955315
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)[C@@H](C)CC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-11-10(12)9(4)7-8(2)3/h5,8-9H,1,6-7H2,2-4H3,(H,11,12)/t9-/m0/s1
InChIKeyDJFJIJNYUBPHIY-VIFPVBQESA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Valeramide, N-allyl-2-propyl-
CID 211203
Hexanamide, N-methallyl-
CID 22446576
N-(2-methylprop-2-enyl)pentanamide
CID 114618785
N-butyl-2-methylpent-4-enamide
CID 86208811
3-Methyl-N-2-propen-1-ylbutanamide
CID 4070754
N-isopentyl-4-methylpentanamide
CID 20442825
3-methyl-N-prop-2-enylpent-4-enamide
CID 134872335
2-fluoro-3-methyl-N-prop-2-enyl-2-(trifluoromethyl)pentanamide
CID 132064133
N-(1-fluoroprop-2-enyl)pentanamide
CID 174776839
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
Hexanamide, N-allyl-
CID 4153372
2-methyl-N-propylpentanamide
CID 4474213

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-N-prop-2-enylpentanamide?
The IUPAC name of (2S)-2,4-dimethyl-N-prop-2-enylpentanamide (CID 59955315) is (2S)-2,4-dimethyl-N-prop-2-enylpentanamide.
What is the SMILES notation for (2S)-2,4-dimethyl-N-prop-2-enylpentanamide?
The canonical SMILES for (2S)-2,4-dimethyl-N-prop-2-enylpentanamide is C=CCNC(=O)[C@@H](C)CC(C)C.
What is the InChIKey of (2S)-2,4-dimethyl-N-prop-2-enylpentanamide?
The InChIKey is DJFJIJNYUBPHIY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-11-10(12)9(4)7-8(2)3/h5,8-9H,1,6-7H2,2-4H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-N-prop-2-enylpentanamide?
(2S)-2,4-dimethyl-N-prop-2-enylpentanamide has a molecular weight of 169.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 59955315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).