N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide

C14H15NO — CID 146083708

IUPACN-methyl-N-(2-phenylcyclopropyl)but-2-ynamide
SMILESCC#CC(=O)N(C)C1CC1c1ccccc1
InChIInChI=1S/C14H15NO/c1-3-7-14(16)15(2)13-10-12(13)11-8-5-4-6-9-11/h4-6,8-9,12-13H,10H2,1-2H3
InChIKeyQIZDDQBVJBVIAJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.02
Rot. Bonds2

About N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide

N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide (PubChem CID 146083708) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylcyclopropyl)but-2-ynamide
PubChem CID146083708
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-methyl-N-(2-phenylcyclopropyl)but-2-ynamide
SMILESCC#CC(=O)N(C)C1CC1c1ccccc1
InChIInChI=1S/C14H15NO/c1-3-7-14(16)15(2)13-10-12(13)11-8-5-4-6-9-11/h4-6,8-9,12-13H,10H2,1-2H3
InChIKeyQIZDDQBVJBVIAJ-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
CID 154193937
1-(2-phenylcyclohexyl)but-2-yn-1-one
CID 170051138
3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 97248877
N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide
CID 97247281
N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167847221
2-bromo-N-tert-butyl-N-(2-phenylcyclopropyl)acetamide
CID 70559701
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
2-phenyl-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45264199
N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide
CID 67593136

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide?
The IUPAC name of N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide (CID 146083708) is N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide.
What is the SMILES notation for N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide?
The canonical SMILES for N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide is CC#CC(=O)N(C)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide?
The InChIKey is QIZDDQBVJBVIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-7-14(16)15(2)13-10-12(13)11-8-5-4-6-9-11/h4-6,8-9,12-13H,10H2,1-2H3.
What are the key properties of N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide?
N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide has a molecular weight of 213.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide is sourced from PubChem (CID 146083708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).