N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide

C16H20N2O2 — CID 62978206

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCN(CCNC(=O)c1cccc(C#CCO)c1)C1CC1
InChIInChI=1S/C16H20N2O2/c1-18(15-7-8-15)10-9-17-16(20)14-6-2-4-13(12-14)5-3-11-19/h2,4,6,12,15,19H,7-11H2,1H3,(H,17,20)
InChIKeyAWHISHCMXWDXAN-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.85
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 62978206) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID62978206
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCN(CCNC(=O)c1cccc(C#CCO)c1)C1CC1
InChIInChI=1S/C16H20N2O2/c1-18(15-7-8-15)10-9-17-16(20)14-6-2-4-13(12-14)5-3-11-19/h2,4,6,12,15,19H,7-11H2,1H3,(H,17,20)
InChIKeyAWHISHCMXWDXAN-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816695
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide
CID 62979614
2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978382
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 60855444
3-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62640695
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
5-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]thiophene-3-carboxamide
CID 79684114
N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816514

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide (CID 62978206) is N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide is CN(CCNC(=O)c1cccc(C#CCO)c1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is AWHISHCMXWDXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(15-7-8-15)10-9-17-16(20)14-6-2-4-13(12-14)5-3-11-19/h2,4,6,12,15,19H,7-11H2,1H3,(H,17,20).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 62978206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).