3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide

C12H20N2O2 — CID 112501488

IUPAC3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
SMILESCCC(C)N(Cc1ccco1)C(=O)CCN
InChIInChI=1S/C12H20N2O2/c1-3-10(2)14(12(15)6-7-13)9-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9,13H2,1-2H3
InChIKeyMCHVRRYMZUXZIU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.76
Rot. Bonds6

About 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide

3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide (PubChem CID 112501488) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
PubChem CID112501488
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
SMILESCCC(C)N(Cc1ccco1)C(=O)CCN
InChIInChI=1S/C12H20N2O2/c1-3-10(2)14(12(15)6-7-13)9-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9,13H2,1-2H3
InChIKeyMCHVRRYMZUXZIU-UHFFFAOYSA-N
XLogP1.76
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4593818
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide
CID 50983253
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
CID 163170695
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 7439809

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide (CID 112501488) is 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide is CCC(C)N(Cc1ccco1)C(=O)CCN.
What is the InChIKey of 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is MCHVRRYMZUXZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10(2)14(12(15)6-7-13)9-11-5-4-8-16-11/h4-5,8,10H,3,6-7,9,13H2,1-2H3.
What are the key properties of 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide?
3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 224.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 112501488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).