N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

C30H36N2O6 — CID 40965198

IUPACN-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccco2)c1
InChIInChI=1S/C30H36N2O6/c1-35-24-12-7-9-22(20-24)28(29(33)31-23-10-5-4-6-11-23)32(30(34)26-13-8-18-38-26)17-16-21-14-15-25(36-2)27(19-21)37-3/h7-9,12-15,18-20,23,28H,4-6,10-11,16-17H2,1-3H3,(H,31,33)/t28-/m0/s1
InChIKeyNAIHITNAGYIWSW-NDEPHWFRSA-N
MW520.63 g/mol
LogP5.18
Rot. Bonds11

About N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 40965198) has the molecular formula C30H36N2O6 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID40965198
Molecular FormulaC30H36N2O6
Molecular Weight520.63 g/mol
Exact Mass520.26
IUPAC NameN-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccco2)c1
InChIInChI=1S/C30H36N2O6/c1-35-24-12-7-9-22(20-24)28(29(33)31-23-10-5-4-6-11-23)32(30(34)26-13-8-18-38-26)17-16-21-14-15-25(36-2)27(19-21)37-3/h7-9,12-15,18-20,23,28H,4-6,10-11,16-17H2,1-3H3,(H,31,33)/t28-/m0/s1
InChIKeyNAIHITNAGYIWSW-NDEPHWFRSA-N
XLogP5.18
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 25311662
N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3191414
2-[(2-chloroacetyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 86810155
N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311473
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 3196704
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 25311577
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 6557954
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196697
(2S)-2-(3-bromophenyl)-2-[(2-chloroacetyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexylacetamide
CID 98364369
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]furan-2-carboxamide
CID 3196979
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184757
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
CID 3196667

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (CID 40965198) is N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccco2)c1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is NAIHITNAGYIWSW-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H36N2O6/c1-35-24-12-7-9-22(20-24)28(29(33)31-23-10-5-4-6-11-23)32(30(34)26-13-8-18-38-26)17-16-21-14-15-25(36-2)27(19-21)37-3/h7-9,12-15,18-20,23,28H,4-6,10-11,16-17H2,1-3H3,(H,31,33)/t28-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 40965198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).