N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide

C31H31N3O3 — CID 10767478

IUPACN-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1CCC(C(=O)NNC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C31H31N3O3/c35-29(19-25-11-5-9-22-7-1-3-12-26(22)25)32-20-21-15-17-24(18-16-21)30(36)33-34-31(37)28-14-6-10-23-8-2-4-13-27(23)28/h1-14,21,24H,15-20H2,(H,32,35)(H,33,36)(H,34,37)
InChIKeyFSOPROOMXHIEPE-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.92
Rot. Bonds6

About N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide

N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide (PubChem CID 10767478) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide
PubChem CID10767478
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC NameN-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC1CCC(C(=O)NNC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C31H31N3O3/c35-29(19-25-11-5-9-22-7-1-3-12-26(22)25)32-20-21-15-17-24(18-16-21)30(36)33-34-31(37)28-14-6-10-23-8-2-4-13-27(23)28/h1-14,21,24H,15-20H2,(H,32,35)(H,33,36)(H,34,37)
InChIKeyFSOPROOMXHIEPE-UHFFFAOYSA-N
XLogP4.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide (CID 10767478) is N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC1CCC(C(=O)NNC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is FSOPROOMXHIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c35-29(19-25-11-5-9-22-7-1-3-12-26(22)25)32-20-21-15-17-24(18-16-21)30(36)33-34-31(37)28-14-6-10-23-8-2-4-13-27(23)28/h1-14,21,24H,15-20H2,(H,32,35)(H,33,36)(H,34,37).
What are the key properties of N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide?
N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 493.61 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(naphthalene-1-carbonylamino)carbamoyl]cyclohexyl]methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 10767478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).