N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide

C18H21N3O3 — CID 47069326

IUPACN-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)NC2CCCC2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C18H21N3O3/c1-12-11-14(20-18(23)19-13-5-2-3-6-13)8-9-15(12)21-17(22)16-7-4-10-24-16/h4,7-11,13H,2-3,5-6H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyKVMZAKPNBGCZSV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.90
Rot. Bonds4

About N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide

N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide (PubChem CID 47069326) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide
PubChem CID47069326
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)NC2CCCC2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C18H21N3O3/c1-12-11-14(20-18(23)19-13-5-2-3-6-13)8-9-15(12)21-17(22)16-7-4-10-24-16/h4,7-11,13H,2-3,5-6H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyKVMZAKPNBGCZSV-UHFFFAOYSA-N
XLogP3.90
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[2-methyl-4-[(1-phenylcyclopentanecarbonyl)amino]phenyl]furan-2-carboxamide
CID 28624250
N-[4-(furan-2-carbonylamino)-3-methylphenyl]morpholine-2-carboxamide;hydrochloride
CID 119743183
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
N-[4-[(2-fluoro-6-methylbenzoyl)amino]-2-methylphenyl]furan-2-carboxamide
CID 131889577
N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide (CID 47069326) is N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)NC2CCCC2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is KVMZAKPNBGCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-11-14(20-18(23)19-13-5-2-3-6-13)8-9-15(12)21-17(22)16-7-4-10-24-16/h4,7-11,13H,2-3,5-6H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide?
N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 47069326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).