5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide

C11H18N2O4 — CID 106160982

IUPAC5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccc(CN)o1
InChIInChI=1S/C11H18N2O4/c1-16-7-8(4-5-14)13-11(15)10-3-2-9(6-12)17-10/h2-3,8,14H,4-7,12H2,1H3,(H,13,15)
InChIKeySHQDACGLKPIHAQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.13
Rot. Bonds7

About 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide

5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide (PubChem CID 106160982) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
PubChem CID106160982
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccc(CN)o1
InChIInChI=1S/C11H18N2O4/c1-16-7-8(4-5-14)13-11(15)10-3-2-9(6-12)17-10/h2-3,8,14H,4-7,12H2,1H3,(H,13,15)
InChIKeySHQDACGLKPIHAQ-UHFFFAOYSA-N
XLogP-0.13
TPSA97.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide 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

5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
CID 114100067
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)furan-3-carboxamide
CID 106899013
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925
N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide
CID 106184775
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide (CID 106160982) is 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide is COCC(CCO)NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide?
The InChIKey is SHQDACGLKPIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-16-7-8(4-5-14)13-11(15)10-3-2-9(6-12)17-10/h2-3,8,14H,4-7,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide?
5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide has a molecular weight of 242.27 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 106160982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).