N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide

C35H36N4O4 — CID 17233797

IUPACN,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C35H36N4O4/c40-32(36-28-16-20-30(21-17-28)38-34(42)24-14-26-8-3-1-4-9-26)12-7-13-33(41)37-29-18-22-31(23-19-29)39-35(43)25-15-27-10-5-2-6-11-27/h1-6,8-11,16-23H,7,12-15,24-25H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)
InChIKeyMGIRNLCGKYDTOG-UHFFFAOYSA-N
MW576.70 g/mol
LogP6.58
Rot. Bonds14

About N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide

N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide (PubChem CID 17233797) has the molecular formula C35H36N4O4 and a molecular weight of 576.70 g/mol. Its IUPAC name is N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
PubChem CID17233797
Molecular FormulaC35H36N4O4
Molecular Weight576.70 g/mol
Exact Mass576.27
IUPAC NameN,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C35H36N4O4/c40-32(36-28-16-20-30(21-17-28)38-34(42)24-14-26-8-3-1-4-9-26)12-7-13-33(41)37-29-18-22-31(23-19-29)39-35(43)25-15-27-10-5-2-6-11-27/h1-6,8-11,16-23H,7,12-15,24-25H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)
InChIKeyMGIRNLCGKYDTOG-UHFFFAOYSA-N
XLogP6.58
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 56.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 836055
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CID 10492186
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
4-(3-phenylpropanoylamino)benzamide
CID 675903
(E)-3-[4-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 45387481
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide (CID 17233797) is N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide is O=C(CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1)Nc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide?
The InChIKey is MGIRNLCGKYDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O4/c40-32(36-28-16-20-30(21-17-28)38-34(42)24-14-26-8-3-1-4-9-26)12-7-13-33(41)37-29-18-22-31(23-19-29)39-35(43)25-15-27-10-5-2-6-11-27/h1-6,8-11,16-23H,7,12-15,24-25H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43).
What are the key properties of N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide?
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide has a molecular weight of 576.70 g/mol, XLogP of 6.58, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide is sourced from PubChem (CID 17233797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).