N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide

C12H23N3O2 — CID 145316110

IUPACN-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide
SMILESCCCN(C)C(=O)N(C)/C=C(\C)N(C)C(C)=O
InChIInChI=1S/C12H23N3O2/c1-7-8-13(4)12(17)14(5)9-10(2)15(6)11(3)16/h9H,7-8H2,1-6H3/b10-9+
InChIKeyVIUKNCMZLGJWHY-MDZDMXLPSA-N
MW241.33 g/mol
LogP1.72
Rot. Bonds4

About N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide

N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide (PubChem CID 145316110) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide
PubChem CID145316110
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide
SMILESCCCN(C)C(=O)N(C)/C=C(\C)N(C)C(C)=O
InChIInChI=1S/C12H23N3O2/c1-7-8-13(4)12(17)14(5)9-10(2)15(6)11(3)16/h9H,7-8H2,1-6H3/b10-9+
InChIKeyVIUKNCMZLGJWHY-MDZDMXLPSA-N
XLogP1.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diacetyl-4-methyl-1,3-dihydro-2H-imidazol-2-one
CID 12699181
4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
N-[1-[acetyl(ethenyl)amino]propyl]-N-ethenylacetamide
CID 56990592
N-[1-[acetyl(ethenyl)amino]butyl]-N-ethenylacetamide
CID 57162780
1-(2,3,5-trimethyl-2H-imidazol-1-yl)ethanone
CID 141071074
1-[2-(dimethylamino)-3,5-dimethyl-2H-imidazol-1-yl]ethanone
CID 141155595
N-ethylacetamide;N-prop-1-en-2-yl-N',N'-dipropylmethanediamine
CID 143490425
CID 19097599
CID 19097599
3-Butyl-4-methyl-1-propan-2-ylimidazol-2-one
CID 121224014

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide?
The IUPAC name of N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide (CID 145316110) is N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide is CCCN(C)C(=O)N(C)/C=C(\C)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide?
The InChIKey is VIUKNCMZLGJWHY-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7-8-13(4)12(17)14(5)9-10(2)15(6)11(3)16/h9H,7-8H2,1-6H3/b10-9+.
What are the key properties of N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide?
N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1-[methyl-[methyl(propyl)carbamoyl]amino]prop-1-en-2-yl]acetamide is sourced from PubChem (CID 145316110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).