N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide

C28H32N4O3 — CID 54834109

IUPACN,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N4O3/c1-3-32(4-2)28(35)22-11-13-23(14-12-22)29-20-27(34)31-25-17-15-24(16-18-25)30-26(33)19-10-21-8-6-5-7-9-21/h5-9,11-18,29H,3-4,10,19-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyRBHRALSYBPBVQU-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.79
Rot. Bonds11

About N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide

N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide (PubChem CID 54834109) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
PubChem CID54834109
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N4O3/c1-3-32(4-2)28(35)22-11-13-23(14-12-22)29-20-27(34)31-25-17-15-24(16-18-25)30-26(33)19-10-21-8-6-5-7-9-21/h5-9,11-18,29H,3-4,10,19-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyRBHRALSYBPBVQU-UHFFFAOYSA-N
XLogP4.79
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide (CID 54834109) is N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The InChIKey is RBHRALSYBPBVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-3-32(4-2)28(35)22-11-13-23(14-12-22)29-20-27(34)31-25-17-15-24(16-18-25)30-26(33)19-10-21-8-6-5-7-9-21/h5-9,11-18,29H,3-4,10,19-20H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.79, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54834109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).