N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide

C17H21NO2 — CID 107400546

IUPACN-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C17H21NO2/c1-2-18(13-15-5-3-6-15)17(20)16-10-8-14(9-11-16)7-4-12-19/h8-11,15,19H,2-3,5-6,12-13H2,1H3
InChIKeyBXMJCSLBCAHCSX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.29
Rot. Bonds4

About N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide

N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 107400546) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID107400546
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C17H21NO2/c1-2-18(13-15-5-3-6-15)17(20)16-10-8-14(9-11-16)7-4-12-19/h8-11,15,19H,2-3,5-6,12-13H2,1H3
InChIKeyBXMJCSLBCAHCSX-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-N-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 131926420
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
CID 79470876
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816084
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
3-[4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 55125764
N-(2-hydroxycyclohexyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 102635822
N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62923888
N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 63938139
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide (CID 107400546) is N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide is CCN(CC1CCC1)C(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is BXMJCSLBCAHCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-18(13-15-5-3-6-15)17(20)16-10-8-14(9-11-16)7-4-12-19/h8-11,15,19H,2-3,5-6,12-13H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide?
N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 107400546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).