N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

C22H27N3O4 — CID 2930202

IUPACN-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1
InChIInChI=1S/C22H27N3O4/c1-2-17(21(27)23-15-9-4-3-5-10-15)24-20(26)16-11-6-7-12-18(16)25-22(28)19-13-8-14-29-19/h6-8,11-15,17H,2-5,9-10H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyONDDXHVCGRDWEB-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.49
Rot. Bonds7

About N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 2930202) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID2930202
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1
InChIInChI=1S/C22H27N3O4/c1-2-17(21(27)23-15-9-4-3-5-10-15)24-20(26)16-11-6-7-12-18(16)25-22(28)19-13-8-14-29-19/h6-8,11-15,17H,2-5,9-10H2,1H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyONDDXHVCGRDWEB-UHFFFAOYSA-N
XLogP3.49
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 40836631
N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 25357652
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanedioate
CID 7760340
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713
N-cyclooctylfuran-2-carboxamide
CID 790432

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 2930202) is N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is CCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ONDDXHVCGRDWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-17(21(27)23-15-9-4-3-5-10-15)24-20(26)16-11-6-7-12-18(16)25-22(28)19-13-8-14-29-19/h6-8,11-15,17H,2-5,9-10H2,1H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2930202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).