N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide

C16H19N3O4 — CID 39193182

IUPACN-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)CCCN)ccc1NC(=O)c1ccco1
InChIInChI=1S/C16H19N3O4/c1-22-14-10-11(18-15(20)5-2-8-17)6-7-12(14)19-16(21)13-4-3-9-23-13/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyHCFLCMUFWLPDNG-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.22
Rot. Bonds7

About N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide

N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 39193182) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
PubChem CID39193182
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)CCCN)ccc1NC(=O)c1ccco1
InChIInChI=1S/C16H19N3O4/c1-22-14-10-11(18-15(20)5-2-8-17)6-7-12(14)19-16(21)13-4-3-9-23-13/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyHCFLCMUFWLPDNG-UHFFFAOYSA-N
XLogP2.22
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
CID 39193126
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 2237008

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide (CID 39193182) is N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)CCCN)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is HCFLCMUFWLPDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-14-10-11(18-15(20)5-2-8-17)6-7-12(14)19-16(21)13-4-3-9-23-13/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide?
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 39193182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).