4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide

C10H20N2O2 — CID 103156652

IUPAC4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
SMILESC=CCC(C)NC(=O)CC(CN)OC
InChIInChI=1S/C10H20N2O2/c1-4-5-8(2)12-10(13)6-9(7-11)14-3/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13)
InChIKeyOVPDRRXBAIDHAY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.43
Rot. Bonds7

About 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide

4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide (PubChem CID 103156652) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
PubChem CID103156652
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
SMILESC=CCC(C)NC(=O)CC(CN)OC
InChIInChI=1S/C10H20N2O2/c1-4-5-8(2)12-10(13)6-9(7-11)14-3/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13)
InChIKeyOVPDRRXBAIDHAY-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
CID 103154141
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
pent-4-en-2-ylcarbamic acid
CID 146626901
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide (CID 103156652) is 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide is C=CCC(C)NC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide?
The InChIKey is OVPDRRXBAIDHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-5-8(2)12-10(13)6-9(7-11)14-3/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13).
What are the key properties of 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide?
4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide has a molecular weight of 200.28 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide is sourced from PubChem (CID 103156652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).