N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide

C13H27N3O2 — CID 123222952

IUPACN-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide
SMILESCCC(C)N(C)C(=O)NC(=O)C(C(C)C)N(C)C
InChIInChI=1S/C13H27N3O2/c1-8-10(4)16(7)13(18)14-12(17)11(9(2)3)15(5)6/h9-11H,8H2,1-7H3,(H,14,17,18)
InChIKeyAKGJHSLNIWCEEV-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.54
Rot. Bonds5

About N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide

N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide (PubChem CID 123222952) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide
PubChem CID123222952
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide
SMILESCCC(C)N(C)C(=O)NC(=O)C(C(C)C)N(C)C
InChIInChI=1S/C13H27N3O2/c1-8-10(4)16(7)13(18)14-12(17)11(9(2)3)15(5)6/h9-11H,8H2,1-7H3,(H,14,17,18)
InChIKeyAKGJHSLNIWCEEV-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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AC1Lgxvo
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3-Cyclopentyl-5-isopropyl-imidazolidine-2,4-dione
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(7S)-5-methyl-7-(2-methylpropyl)-1,3,5-triazepane-2,6-dione
CID 44417506
3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 45105963
N-(cyclopropylcarbamoyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 45811819
3-Methyl-5-isopropylhydantoin
CID 53425842
5-Isobutyl-3-methylimidazolidine-2,4-dione
CID 271878
5-Ethylmethylhydantoin
CID 13590030
3-Butyl-5-(1-methylethyl)-2,4-imidazolidinedione
CID 19078762
(2S)-2-amino-N-[(2S)-2-amino-3-methylbutanoyl]-N-carbamoyl-3-methylbutanamide
CID 87326635

Frequently Asked Questions

What is the IUPAC name of N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide (CID 123222952) is N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide is CCC(C)N(C)C(=O)NC(=O)C(C(C)C)N(C)C.
What is the InChIKey of N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is AKGJHSLNIWCEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-8-10(4)16(7)13(18)14-12(17)11(9(2)3)15(5)6/h9-11H,8H2,1-7H3,(H,14,17,18).
What are the key properties of N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide?
N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-yl(methyl)carbamoyl]-2-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 123222952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).