4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide

C12H26N2O2 — CID 103155921

IUPAC4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
SMILESCCC(CC)C(C)NC(=O)CC(CN)OC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-2)9(3)14-12(15)7-11(8-13)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyQFHLFMPRNPDQJA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds8

About 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide

4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide (PubChem CID 103155921) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
PubChem CID103155921
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
SMILESCCC(CC)C(C)NC(=O)CC(CN)OC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-2)9(3)14-12(15)7-11(8-13)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyQFHLFMPRNPDQJA-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
3-amino-N-(3-ethylpentan-2-yl)-2-methoxypropanamide
CID 106112904
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
CID 103156652
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120587324
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
CID 103154141
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587323
2-[(4-amino-3-methoxybutanoyl)amino]hexanoic acid
CID 103155410

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide (CID 103155921) is 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide is CCC(CC)C(C)NC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide?
The InChIKey is QFHLFMPRNPDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(6-2)9(3)14-12(15)7-11(8-13)16-4/h9-11H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide?
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide is sourced from PubChem (CID 103155921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).