N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide

C16H24N2O — CID 78914551

IUPACN-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-5-10-17-11-16(19)18(4)12-14-6-8-15(9-7-14)13(2)3/h5-9,13,17H,1,10-12H2,2-4H3
InChIKeyJOOAMBFGJXXIFP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.54
Rot. Bonds7

About N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide

N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 78914551) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID78914551
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-5-10-17-11-16(19)18(4)12-14-6-8-15(9-7-14)13(2)3/h5-9,13,17H,1,10-12H2,2-4H3
InChIKeyJOOAMBFGJXXIFP-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78908264
N-[(4-cyanophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 79285400
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39349341
2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39365300
3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
CID 62838320
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78914540
3-cyano-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 94688472
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide (CID 78914551) is N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is JOOAMBFGJXXIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-10-17-11-16(19)18(4)12-14-6-8-15(9-7-14)13(2)3/h5-9,13,17H,1,10-12H2,2-4H3.
What are the key properties of N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide?
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78914551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).