N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide

C14H18N2O — CID 79287307

IUPACN-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C14H18N2O/c1-3-10-15-12-14(17)16(2)11-9-13-7-5-4-6-8-13/h1,4-8,15H,9-12H2,2H3
InChIKeyCZDISTBEGMUQOO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.91
Rot. Bonds6

About N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide

N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287307) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287307
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C14H18N2O/c1-3-10-15-12-14(17)16(2)11-9-13-7-5-4-6-8-13/h1,4-8,15H,9-12H2,2H3
InChIKeyCZDISTBEGMUQOO-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
4-phenyl-1-(prop-2-ynylamino)butan-2-one
CID 116589465
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
CID 78915073
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555
N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722313
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287117
N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide
CID 79859167
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
2-(N-[2-(prop-2-ynylamino)acetyl]anilino)acetic acid
CID 79287144

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide (CID 79287307) is N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is CZDISTBEGMUQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-10-15-12-14(17)16(2)11-9-13-7-5-4-6-8-13/h1,4-8,15H,9-12H2,2H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide?
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 230.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).