N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C19H23N3O4 — CID 119477145

IUPACN-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESNC1CCC(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C19H23N3O4/c20-13-6-8-14(9-7-13)21-18(23)12-26-16-4-1-3-15(11-16)22-19(24)17-5-2-10-25-17/h1-5,10-11,13-14H,6-9,12,20H2,(H,21,23)(H,22,24)
InChIKeyUHELZHDXUIBEGC-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.30
Rot. Bonds6

About N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 119477145) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID119477145
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESNC1CCC(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C19H23N3O4/c20-13-6-8-14(9-7-13)21-18(23)12-26-16-4-1-3-15(11-16)22-19(24)17-5-2-10-25-17/h1-5,10-11,13-14H,6-9,12,20H2,(H,21,23)(H,22,24)
InChIKeyUHELZHDXUIBEGC-UHFFFAOYSA-N
XLogP2.30
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
N-[3-[2-[(2-methylpiperidin-4-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120601673
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 51134706
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119462625
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 119477145) is N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is NC1CCC(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1.
What is the InChIKey of N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is UHELZHDXUIBEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c20-13-6-8-14(9-7-13)21-18(23)12-26-16-4-1-3-15(11-16)22-19(24)17-5-2-10-25-17/h1-5,10-11,13-14H,6-9,12,20H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 119477145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).