N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide

C13H16N2O — CID 79272166

IUPACN-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C13H16N2O/c1-4-8-14-10-13(16)15(3)12-7-5-6-11(2)9-12/h1,5-7,9,14H,8,10H2,2-3H3
InChIKeySUUYUPCWXZSTOT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide

N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79272166) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79272166
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C13H16N2O/c1-4-8-14-10-13(16)15(3)12-7-5-6-11(2)9-12/h1,5-7,9,14H,8,10H2,2-3H3
InChIKeySUUYUPCWXZSTOT-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.18
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

N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide
CID 106935064
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 62555206
2-(N-[2-(prop-2-ynylamino)acetyl]anilino)acetic acid
CID 79287144
N-[3-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 113297619
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
2-(ethylamino)-N-methyl-N-(6-methylnaphthalen-2-yl)acetamide
CID 115157845
2-(2-aminophenoxy)-N-methyl-N-(3-methylphenyl)acetamide
CID 62003692
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 79615458
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733
N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287328

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide (CID 79272166) is N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)c1cccc(C)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is SUUYUPCWXZSTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-8-14-10-13(16)15(3)12-7-5-6-11(2)9-12/h1,5-7,9,14H,8,10H2,2-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide?
N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 216.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79272166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).