N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide

C18H21N3O3 — CID 119310902

IUPACN-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
SMILESNC1(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCCCC1
InChIInChI=1S/C18H21N3O3/c19-18(8-2-1-3-9-18)17(23)21-15-6-4-5-14(11-15)20-16(22)13-7-10-24-12-13/h4-7,10-12H,1-3,8-9,19H2,(H,20,22)(H,21,23)
InChIKeyWJSMPSBMEZAILV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.13
Rot. Bonds4

About N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide

N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide (PubChem CID 119310902) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
PubChem CID119310902
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
SMILESNC1(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCCCC1
InChIInChI=1S/C18H21N3O3/c19-18(8-2-1-3-9-18)17(23)21-15-6-4-5-14(11-15)20-16(22)13-7-10-24-12-13/h4-7,10-12H,1-3,8-9,19H2,(H,20,22)(H,21,23)
InChIKeyWJSMPSBMEZAILV-UHFFFAOYSA-N
XLogP3.13
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
1-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870422
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
1-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283258
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863690
cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065453
3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide (CID 119310902) is N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide is NC1(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCCCC1.
What is the InChIKey of N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide?
The InChIKey is WJSMPSBMEZAILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-18(8-2-1-3-9-18)17(23)21-15-6-4-5-14(11-15)20-16(22)13-7-10-24-12-13/h4-7,10-12H,1-3,8-9,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide?
N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 119310902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).