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

C16H19NO — CID 115532676

IUPACN-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H19NO/c1-4-9-17(11-14-7-8-14)16(18)15-10-12(2)5-6-13(15)3/h1,5-6,10,14H,7-9,11H2,2-3H3
InChIKeyQFEOGTRPIQEJCW-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.79
Rot. Bonds4

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

N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide (PubChem CID 115532676) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
PubChem CID115532676
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H19NO/c1-4-9-17(11-14-7-8-14)16(18)15-10-12(2)5-6-13(15)3/h1,5-6,10,14H,7-9,11H2,2-3H3
InChIKeyQFEOGTRPIQEJCW-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'}

Analyze N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylbenzoyl)-prop-2-ynylamino]acetic acid
CID 79280095
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
3-bromo-N-(cyclopropylmethyl)-4-methyl-N-prop-2-ynylbenzamide
CID 113330065
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 115532694
2-chloro-N-(cyclopropylmethyl)-N-prop-2-ynyl-5-sulfanylbenzamide
CID 107033410
N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
CID 115532611
N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
CID 115532759
N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
CID 115532695
4-bromo-N-(cyclopropylmethyl)-N-prop-2-ynyl-2-sulfanylbenzamide
CID 107033416
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide (CID 115532676) is N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide is C#CCN(CC1CC1)C(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide?
The InChIKey is QFEOGTRPIQEJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-9-17(11-14-7-8-14)16(18)15-10-12(2)5-6-13(15)3/h1,5-6,10,14H,7-9,11H2,2-3H3.
What are the key properties of N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide?
N-(cyclopropylmethyl)-2,5-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)-2,5-dimethyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 115532676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).