3-amino-N-(furan-2-ylmethyl)butanamide

C9H14N2O2 — CID 60835501

IUPAC3-amino-N-(furan-2-ylmethyl)butanamide
SMILESCC(N)CC(=O)NCc1ccco1
InChIInChI=1S/C9H14N2O2/c1-7(10)5-9(12)11-6-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3,(H,11,12)
InChIKeyYIZSNLMYTCCLQP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-N-(furan-2-ylmethyl)butanamide

3-amino-N-(furan-2-ylmethyl)butanamide (PubChem CID 60835501) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)butanamide
PubChem CID60835501
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-N-(furan-2-ylmethyl)butanamide
SMILESCC(N)CC(=O)NCc1ccco1
InChIInChI=1S/C9H14N2O2/c1-7(10)5-9(12)11-6-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3,(H,11,12)
InChIKeyYIZSNLMYTCCLQP-UHFFFAOYSA-N
XLogP0.63
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537321
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
CID 16772157
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)butanamide (CID 60835501) is 3-amino-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)butanamide is CC(N)CC(=O)NCc1ccco1.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)butanamide?
The InChIKey is YIZSNLMYTCCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(10)5-9(12)11-6-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-(furan-2-ylmethyl)butanamide?
3-amino-N-(furan-2-ylmethyl)butanamide has a molecular weight of 182.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 60835501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).