N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide

C22H21N3O4 — CID 33191879

IUPACN-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCNC(=O)c1ccco1
InChIInChI=1S/C22H21N3O4/c26-20(23-12-13-24-22(28)19-7-4-14-29-19)15-25-21(27)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyQZENEQFPIHWDGX-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.22
Rot. Bonds8

About N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide

N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide (PubChem CID 33191879) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
PubChem CID33191879
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCNC(=O)c1ccco1
InChIInChI=1S/C22H21N3O4/c26-20(23-12-13-24-22(28)19-7-4-14-29-19)15-25-21(27)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyQZENEQFPIHWDGX-UHFFFAOYSA-N
XLogP2.22
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062816
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
N-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55959369
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide (CID 33191879) is N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is QZENEQFPIHWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-20(23-12-13-24-22(28)19-7-4-14-29-19)15-25-21(27)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 33191879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).