N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide

C24H29N3O4 — CID 650817

IUPACN-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
SMILESC=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-2-15-27(21(28)17-25-23(29)20-14-9-16-31-20)22(18-10-5-3-6-11-18)24(30)26-19-12-7-4-8-13-19/h2-3,5-6,9-11,14,16,19,22H,1,4,7-8,12-13,15,17H2,(H,25,29)(H,26,30)
InChIKeyGMMRENVEYOEFMA-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.21
Rot. Bonds9

About N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 650817) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID650817
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
SMILESC=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-2-15-27(21(28)17-25-23(29)20-14-9-16-31-20)22(18-10-5-3-6-11-18)24(30)26-19-12-7-4-8-13-19/h2-3,5-6,9-11,14,16,19,22H,1,4,7-8,12-13,15,17H2,(H,25,29)(H,26,30)
InChIKeyGMMRENVEYOEFMA-UHFFFAOYSA-N
XLogP3.21
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 3211818
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 651487
N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211636
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211059
N-[2-[benzyl-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 40836398
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
CID 3211759
N-[2-[benzyl-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211516
N-[2-[benzyl-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211699
N-[2-[[2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211555
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211389
N-[2-[[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211869

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide (CID 650817) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide is C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GMMRENVEYOEFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-2-15-27(21(28)17-25-23(29)20-14-9-16-31-20)22(18-10-5-3-6-11-18)24(30)26-19-12-7-4-8-13-19/h2-3,5-6,9-11,14,16,19,22H,1,4,7-8,12-13,15,17H2,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 650817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).