2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide

C17H23N3O2 — CID 32972903

IUPAC2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CNc1cccc(NC(C)=O)c1C
InChIInChI=1S/C17H23N3O2/c1-5-10-20(11-6-2)17(22)12-18-15-8-7-9-16(13(15)3)19-14(4)21/h5-9,18H,1-2,10-12H2,3-4H3,(H,19,21)
InChIKeyXUJRXUYFQWVTRV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.57
Rot. Bonds8

About 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide

2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 32972903) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide
PubChem CID32972903
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CNc1cccc(NC(C)=O)c1C
InChIInChI=1S/C17H23N3O2/c1-5-10-20(11-6-2)17(22)12-18-15-8-7-9-16(13(15)3)19-14(4)21/h5-9,18H,1-2,10-12H2,3-4H3,(H,19,21)
InChIKeyXUJRXUYFQWVTRV-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide
CID 87029576
2-(3-acetamido-2-methylanilino)-N-ethyl-N-phenylacetamide
CID 34067816
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 32974983
2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 84566729
2-[2-(2-phenoxyethoxy)anilino]-N,N-bis(prop-2-enyl)acetamide
CID 54827057
2-(3-methoxyanilino)-N,N-bis(prop-2-enyl)acetamide
CID 54814741
N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816391
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-(3-acetamido-2-methylanilino)-N-(dicyclopropylmethyl)acetamide
CID 34068559
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869
3-(3-chloro-2-methylphenyl)-1,1-bis(prop-2-enyl)thiourea
CID 19653077

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide (CID 32972903) is 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CNc1cccc(NC(C)=O)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is XUJRXUYFQWVTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-10-20(11-6-2)17(22)12-18-15-8-7-9-16(13(15)3)19-14(4)21/h5-9,18H,1-2,10-12H2,3-4H3,(H,19,21).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide?
2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 32972903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).