(2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide

C15H29N3O2 — CID 90397090

IUPAC(2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide
SMILESC=C(CN(C)C(=O)CCC)N(C)[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C15H29N3O2/c1-7-8-14(19)17(5)10-12(4)18(6)13(15(16)20)9-11(2)3/h11,13H,4,7-10H2,1-3,5-6H3,(H2,16,20)/t13-/m0/s1
InChIKeyHNQFNZVJBDOKJT-ZDUSSCGKSA-N
MW283.42 g/mol
LogP1.59
Rot. Bonds9

About (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide

(2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide (PubChem CID 90397090) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide
PubChem CID90397090
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide
SMILESC=C(CN(C)C(=O)CCC)N(C)[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C15H29N3O2/c1-7-8-14(19)17(5)10-12(4)18(6)13(15(16)20)9-11(2)3/h11,13H,4,7-10H2,1-3,5-6H3,(H2,16,20)/t13-/m0/s1
InChIKeyHNQFNZVJBDOKJT-ZDUSSCGKSA-N
XLogP1.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-2-hydroxyacetyl]-methylamino]-4-methylpentanamide
CID 90429913
(2S)-2-[[(2R)-2-[butanoyl(methyl)amino]-2-propan-2-ylsulfanylacetyl]-methylamino]-4-methylpentanamide
CID 118882604
(2S)-4-methyl-2-[methyl-[2-[methyl(3-methylbutanoyl)amino]prop-2-enoyl]amino]pentanamide
CID 87281087
butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 87389517
(2S)-2-[[2-[butanoyl(methyl)amino]acetyl]-methylamino]-4-methyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pentanamide
CID 88911665
N-(aminomethyl)-N-methylbutanamide
CID 155070465
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide
CID 122467702
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
3-oxohexan-2-yl 2-(dimethylamino)-4-methylpentanoate
CID 177343797
(2S)-4-methyl-2-[methyl(octanoyl)amino]pentanoic acid
CID 10945558
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
CID 79200969
N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide
CID 164710684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide (CID 90397090) is (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide is C=C(CN(C)C(=O)CCC)N(C)[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide?
The InChIKey is HNQFNZVJBDOKJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-7-8-14(19)17(5)10-12(4)18(6)13(15(16)20)9-11(2)3/h11,13H,4,7-10H2,1-3,5-6H3,(H2,16,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide?
(2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide has a molecular weight of 283.42 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[butanoyl(methyl)amino]prop-1-en-2-yl-methylamino]-4-methylpentanamide is sourced from PubChem (CID 90397090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).