(2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide

C15H28N2O2 — CID 141036181

IUPAC(2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide
SMILESC=CC(=O)N(C)[C@H](C(=O)NC(CC)CC)[C@@H](C)CC
InChIInChI=1S/C15H28N2O2/c1-7-11(5)14(17(6)13(18)10-4)15(19)16-12(8-2)9-3/h10-12,14H,4,7-9H2,1-3,5-6H3,(H,16,19)/t11-,14-/m0/s1
InChIKeyASHYVWUWJPSGCV-FZMZJTMJSA-N
MW268.40 g/mol
LogP2.35
Rot. Bonds8

About (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide

(2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide (PubChem CID 141036181) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide
PubChem CID141036181
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide
SMILESC=CC(=O)N(C)[C@H](C(=O)NC(CC)CC)[C@@H](C)CC
InChIInChI=1S/C15H28N2O2/c1-7-11(5)14(17(6)13(18)10-4)15(19)16-12(8-2)9-3/h10-12,14H,4,7-9H2,1-3,5-6H3,(H,16,19)/t11-,14-/m0/s1
InChIKeyASHYVWUWJPSGCV-FZMZJTMJSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-1-(2H-pyrrol-1(5H)-yl)pentan-1-one
CID 10845163
2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one
CID 44364338
(3S,6S,12E)-6-methyl-1-(3-methylbutyl)-10-(4-methylpentanoyl)-3-(2-methylpropyl)-1,4,7,10-tetrazacyclotetradec-12-ene-2,5,8-trione
CID 162649428
Cyclo-(dehydroAla-L-Ile)
CID 170989298
N-(2-oxo-1-propan-2-ylazepan-3-yl)prop-2-enamide
CID 53488371
N~2~-Acetyl-L-isoleucinamide
CID 6950966
(2S)-N,3-dimethyl-2-(prop-2-enoylamino)butanamide
CID 90734779
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-fluoro-N-methyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 167202184
N-(1-ethyl-2-oxoazepan-3-yl)prop-2-enamide
CID 53488386
N-(2-oxo-1-propylazepan-3-yl)prop-2-enamide
CID 53384971
N-(1-methyl-2-oxoazepan-3-yl)prop-2-enamide
CID 53384983
(2S)-2-acetamido-4-methyl-N-prop-2-enylpentanamide
CID 637160

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide?
The IUPAC name of (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide (CID 141036181) is (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide?
The canonical SMILES for (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide is C=CC(=O)N(C)[C@H](C(=O)NC(CC)CC)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide?
The InChIKey is ASHYVWUWJPSGCV-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-11(5)14(17(6)13(18)10-4)15(19)16-12(8-2)9-3/h10-12,14H,4,7-9H2,1-3,5-6H3,(H,16,19)/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide?
(2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[methyl(prop-2-enoyl)amino]-N-pentan-3-ylpentanamide is sourced from PubChem (CID 141036181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).