N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide

C13H26N2O2 — CID 119588761

IUPACN-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-7-17-11(4)13(16)15-12(9-14)8-10(2)3/h5,10-12H,1,6-9,14H2,2-4H3,(H,15,16)
InChIKeyAWUYUZQDABXNHS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.46
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide

N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide (PubChem CID 119588761) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
PubChem CID119588761
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C13H26N2O2/c1-5-6-7-17-11(4)13(16)15-12(9-14)8-10(2)3/h5,10-12H,1,6-9,14H2,2-4H3,(H,15,16)
InChIKeyAWUYUZQDABXNHS-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
CID 103791004
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
CID 120506512
(2S)-2-(2-but-3-enoxypropanoylamino)-3-methylbutanoic acid
CID 119360508
2-but-3-enoxypropanoic acid
CID 43128770
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
2-(2-but-3-enoxypropanoylamino)-2-cyclopropylacetic acid
CID 119213547
N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119600308
N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
CID 115737405

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide (CID 119588761) is N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide is C=CCCOC(C)C(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide?
The InChIKey is AWUYUZQDABXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-6-7-17-11(4)13(16)15-12(9-14)8-10(2)3/h5,10-12H,1,6-9,14H2,2-4H3,(H,15,16).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide?
N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide is sourced from PubChem (CID 119588761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).