N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide

C25H37N3O3 — CID 60619843

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C25H37N3O3/c26-23(29)15-16-28(18-20-9-5-2-6-10-20)25(31)21-11-13-22(14-12-21)27-24(30)17-19-7-3-1-4-8-19/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,26,29)(H,27,30)
InChIKeyZSLYLWVMCRFXFN-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.54
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 60619843) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID60619843
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C25H37N3O3/c26-23(29)15-16-28(18-20-9-5-2-6-10-20)25(31)21-11-13-22(14-12-21)27-24(30)17-19-7-3-1-4-8-19/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,26,29)(H,27,30)
InChIKeyZSLYLWVMCRFXFN-UHFFFAOYSA-N
XLogP3.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 60619683
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 169215534
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
CID 6964229
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide (CID 60619843) is N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is ZSLYLWVMCRFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c26-23(29)15-16-28(18-20-9-5-2-6-10-20)25(31)21-11-13-22(14-12-21)27-24(30)17-19-7-3-1-4-8-19/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,26,29)(H,27,30).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 60619843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).