N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide

C31H29N3O5 — CID 171683694

IUPACN-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1
InChIInChI=1S/C31H29N3O5/c1-20-6-15-25(27(19-20)38-2)29(36)32-24-13-9-22(10-14-24)31(16-4-17-31)34-28(35)21-7-11-23(12-8-21)33-30(37)26-5-3-18-39-26/h3,5-15,18-19H,4,16-17H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)
InChIKeyKGRFPVXEWBLCFD-UHFFFAOYSA-N
MW523.59 g/mol
LogP5.91
Rot. Bonds8

About N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 171683694) has the molecular formula C31H29N3O5 and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID171683694
Molecular FormulaC31H29N3O5
Molecular Weight523.59 g/mol
Exact Mass523.21
IUPAC NameN-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1
InChIInChI=1S/C31H29N3O5/c1-20-6-15-25(27(19-20)38-2)29(36)32-24-13-9-22(10-14-24)31(16-4-17-31)34-28(35)21-7-11-23(12-8-21)33-30(37)26-5-3-18-39-26/h3,5-15,18-19H,4,16-17H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)
InChIKeyKGRFPVXEWBLCFD-UHFFFAOYSA-N
XLogP5.91
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]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

(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[2-[(4-methoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
CID 25250119

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide (CID 171683694) is N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide is COc1cc(C)ccc1C(=O)Nc1ccc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCC2)cc1.
What is the InChIKey of N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KGRFPVXEWBLCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O5/c1-20-6-15-25(27(19-20)38-2)29(36)32-24-13-9-22(10-14-24)31(16-4-17-31)34-28(35)21-7-11-23(12-8-21)33-30(37)26-5-3-18-39-26/h3,5-15,18-19H,4,16-17H2,1-2H3,(H,32,36)(H,33,37)(H,34,35).
What are the key properties of N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 5.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 171683694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).