N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide

C16H19NO — CID 115532487

IUPACN-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H19NO/c1-4-7-17(11-14-5-6-14)16(18)15-9-12(2)8-13(3)10-15/h1,8-10,14H,5-7,11H2,2-3H3
InChIKeyVTLDJHUAZLYQGC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.79
Rot. Bonds4

About N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide

N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide (PubChem CID 115532487) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
PubChem CID115532487
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H19NO/c1-4-7-17(11-14-5-6-14)16(18)15-9-12(2)8-13(3)10-15/h1,8-10,14H,5-7,11H2,2-3H3
InChIKeyVTLDJHUAZLYQGC-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.79
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

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N,N-Diethyl-p-toluamide
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4-Benzyl-1-(3-methylbenzoyl)piperidine
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Hexamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide (CID 115532487) is N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide is C#CCN(CC1CC1)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide?
The InChIKey is VTLDJHUAZLYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-7-17(11-14-5-6-14)16(18)15-9-12(2)8-13(3)10-15/h1,8-10,14H,5-7,11H2,2-3H3.
What are the key properties of N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide?
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide has a molecular weight of 241.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 115532487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).