N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide

C16H18N2O2 — CID 115549862

IUPACN-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
SMILESC#CCN(CC1CC1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-10-18(12-13-8-9-13)15(19)11-17-16(20)14-6-4-3-5-7-14/h1,3-7,13H,8-12H2,(H,17,20)
InChIKeySACHPGUWJPUJNS-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.29
Rot. Bonds6

About N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide

N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide (PubChem CID 115549862) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
PubChem CID115549862
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
SMILESC#CCN(CC1CC1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-10-18(12-13-8-9-13)15(19)11-17-16(20)14-6-4-3-5-7-14/h1,3-7,13H,8-12H2,(H,17,20)
InChIKeySACHPGUWJPUJNS-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide 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

N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
CID 78992297
N,N-bis(prop-2-ynyl)benzamide
CID 11790147
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide
CID 113330087
N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide
CID 78794772
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077
N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
CID 115532695
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 115532673
2-[[2-[(2-bromobenzoyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79271583
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
CID 177250979

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide (CID 115549862) is N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide is C#CCN(CC1CC1)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide?
The InChIKey is SACHPGUWJPUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-10-18(12-13-8-9-13)15(19)11-17-16(20)14-6-4-3-5-7-14/h1,3-7,13H,8-12H2,(H,17,20).
What are the key properties of N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide?
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 115549862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).