N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide

C31H25N3O7 — CID 44615045

IUPACN-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESO=C(NC(C(=O)c1ccccc1)N(Cc1ccco1)C(NC(=O)c1ccco1)C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C31H25N3O7/c35-26(21-10-3-1-4-11-21)28(32-30(37)24-15-8-18-40-24)34(20-23-14-7-17-39-23)29(27(36)22-12-5-2-6-13-22)33-31(38)25-16-9-19-41-25/h1-19,28-29H,20H2,(H,32,37)(H,33,38)
InChIKeyAZADBCQBFAABLP-UHFFFAOYSA-N
MW551.56 g/mol
LogP4.55
Rot. Bonds12

About N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide

N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide (PubChem CID 44615045) has the molecular formula C31H25N3O7 and a molecular weight of 551.56 g/mol. Its IUPAC name is N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide
PubChem CID44615045
Molecular FormulaC31H25N3O7
Molecular Weight551.56 g/mol
Exact Mass551.17
IUPAC NameN-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESO=C(NC(C(=O)c1ccccc1)N(Cc1ccco1)C(NC(=O)c1ccco1)C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C31H25N3O7/c35-26(21-10-3-1-4-11-21)28(32-30(37)24-15-8-18-40-24)34(20-23-14-7-17-39-23)29(27(36)22-12-5-2-6-13-22)33-31(38)25-16-9-19-41-25/h1-19,28-29H,20H2,(H,32,37)(H,33,38)
InChIKeyAZADBCQBFAABLP-UHFFFAOYSA-N
XLogP4.55
TPSA135.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1159803
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 6541130
N'-benzyl-N'-phenylfuran-2-carbohydrazide
CID 18884695
N-[3-[furan-2-ylmethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55870410
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
furan-2-ylmethyl-[(1S)-2,2,2-trichloro-1-(furan-2-carbonylamino)ethyl]azanium
CID 7081026
N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316249
2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
CID 7085502

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide (CID 44615045) is N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide is O=C(NC(C(=O)c1ccccc1)N(Cc1ccco1)C(NC(=O)c1ccco1)C(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide?
The InChIKey is AZADBCQBFAABLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O7/c35-26(21-10-3-1-4-11-21)28(32-30(37)24-15-8-18-40-24)34(20-23-14-7-17-39-23)29(27(36)22-12-5-2-6-13-22)33-31(38)25-16-9-19-41-25/h1-19,28-29H,20H2,(H,32,37)(H,33,38).
What are the key properties of N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide?
N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide has a molecular weight of 551.56 g/mol, XLogP of 4.55, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 44615045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).