N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide

C12H18N2O3 — CID 40605624

IUPACN-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
SMILESCC(C)CC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-9(2)8-11(15)13-5-6-14-12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQIYXJRAAJFCHFY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide

N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide (PubChem CID 40605624) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
PubChem CID40605624
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
SMILESCC(C)CC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O3/c1-9(2)8-11(15)13-5-6-14-12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQIYXJRAAJFCHFY-UHFFFAOYSA-N
XLogP1.17
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide (CID 40605624) is N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide is CC(C)CC(=O)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide?
The InChIKey is QIYXJRAAJFCHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)8-11(15)13-5-6-14-12(16)10-4-3-7-17-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide?
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 40605624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).