2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide

C14H18N2O — CID 114172115

IUPAC2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-4-10-16(5-2)14(17)13(15)12-8-6-11(3)7-9-12/h1,6-9,13H,5,10,15H2,2-3H3
InChIKeyYXVICGUDWSSCAR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide

2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide (PubChem CID 114172115) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide
PubChem CID114172115
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-4-10-16(5-2)14(17)13(15)12-8-6-11(3)7-9-12/h1,6-9,13H,5,10,15H2,2-3H3
InChIKeyYXVICGUDWSSCAR-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.48
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

2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide
CID 106312020
2-amino-N-(cyclopropylmethyl)-N-ethyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668472
2-amino-N-methyl-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 114172087
2-amino-N-butan-2-yl-N-ethyl-2-(4-methylphenyl)acetamide
CID 106312072
2-[(2-amino-2-phenylacetyl)-prop-2-ynylamino]acetic acid
CID 79273974
4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120668279
2-amino-N-methyl-2-(4-methylphenyl)-N-propylacetamide
CID 106151263
2-amino-N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666531
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 106151480
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
CID 104898271
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
CID 106312194
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668393

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide (CID 114172115) is 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide is C#CCN(CC)C(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide?
The InChIKey is YXVICGUDWSSCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-10-16(5-2)14(17)13(15)12-8-6-11(3)7-9-12/h1,6-9,13H,5,10,15H2,2-3H3.
What are the key properties of 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide?
2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide has a molecular weight of 230.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 114172115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).