3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide

C14H25NO — CID 78952265

IUPAC3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide
SMILESC#CCN(CCC)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-9-15(10-8-2)13(16)11-12(3)14(4,5)6/h1,12H,8-11H2,2-6H3
InChIKeyPPRJARAPBDKXTO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.93
Rot. Bonds5

About 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide

3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide (PubChem CID 78952265) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide
PubChem CID78952265
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide
SMILESC#CCN(CCC)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-9-15(10-8-2)13(16)11-12(3)14(4,5)6/h1,12H,8-11H2,2-6H3
InChIKeyPPRJARAPBDKXTO-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
CID 78971073
N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
CID 107033460
3-(4-aminophenyl)-N-propyl-N-prop-2-ynylbutanamide
CID 104502911
2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
CID 13324355
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733
3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide
CID 86901393
N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 78969952
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
3-[ethyl(3,4,4-trimethylpentanoyl)amino]-2-methylpropanoic acid
CID 63834633
3-acetyl-4-oxo-N,N-bis(prop-2-ynyl)pentanamide
CID 177102655
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529
(2S,3R)-3-hydroxy-2-[[propyl(prop-2-ynyl)carbamoyl]amino]butanoic acid
CID 104966481

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide?
The IUPAC name of 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide (CID 78952265) is 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide is C#CCN(CCC)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide?
The InChIKey is PPRJARAPBDKXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-9-15(10-8-2)13(16)11-12(3)14(4,5)6/h1,12H,8-11H2,2-6H3.
What are the key properties of 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide?
3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide has a molecular weight of 223.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide is sourced from PubChem (CID 78952265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).