N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide

C17H22N2O — CID 146083738

IUPACN-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide
SMILESCC#CC(=O)NCC(C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-7-17(20)18-12-16(15-10-11-15)19(2)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,10-13H2,1-2H3,(H,18,20)
InChIKeyFPQQSZYTCDDQTB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.04
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide

N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide (PubChem CID 146083738) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide
PubChem CID146083738
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide
SMILESCC#CC(=O)NCC(C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-3-7-17(20)18-12-16(15-10-11-15)19(2)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,10-13H2,1-2H3,(H,18,20)
InChIKeyFPQQSZYTCDDQTB-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.04
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

1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine
CID 129399278
4-[[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]methyl]benzoic acid
CID 122033082
N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86798366
N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide
CID 140734065
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
CID 107654315
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 95578914
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 45183893
N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
CID 131141172
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide (CID 146083738) is N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide is CC#CC(=O)NCC(C1CC1)N(C)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide?
The InChIKey is FPQQSZYTCDDQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-7-17(20)18-12-16(15-10-11-15)19(2)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide?
N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide has a molecular weight of 270.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide is sourced from PubChem (CID 146083738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).