1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide

C28H30N4O4 — CID 28642997

IUPAC1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C28H30N4O4/c29-25(33)15-17-31(19-21-7-3-1-4-8-21)27(35)23-11-13-24(14-12-23)28(36)32(18-16-26(30)34)20-22-9-5-2-6-10-22/h1-14H,15-20H2,(H2,29,33)(H2,30,34)
InChIKeyWYVMKYIMHHGGGT-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.72
Rot. Bonds12

About 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide

1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide (PubChem CID 28642997) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
PubChem CID28642997
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C28H30N4O4/c29-25(33)15-17-31(19-21-7-3-1-4-8-21)27(35)23-11-13-24(14-12-23)28(36)32(18-16-26(30)34)20-22-9-5-2-6-10-22/h1-14H,15-20H2,(H2,29,33)(H2,30,34)
InChIKeyWYVMKYIMHHGGGT-UHFFFAOYSA-N
XLogP2.72
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571
methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
CID 28642596
N',N'-dibenzylbutanediamide
CID 101024490
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
CID 107909271
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
N-(3-amino-3-oxopropyl)-N-benzyl-3-bromo-4-prop-2-enoxybenzamide
CID 28642553

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide (CID 28642997) is 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CCC(N)=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide?
The InChIKey is WYVMKYIMHHGGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c29-25(33)15-17-31(19-21-7-3-1-4-8-21)27(35)23-11-13-24(14-12-23)28(36)32(18-16-26(30)34)20-22-9-5-2-6-10-22/h1-14H,15-20H2,(H2,29,33)(H2,30,34).
What are the key properties of 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide?
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide has a molecular weight of 486.57 g/mol, XLogP of 2.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 28642997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).