3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide

C23H28N4O — CID 84567261

IUPAC3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESO=C(CCN(Cc1cccc2ccccc12)C1CC1)NCCCn1ccnc1
InChIInChI=1S/C23H28N4O/c28-23(25-12-4-14-26-16-13-24-18-26)11-15-27(21-9-10-21)17-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-8,13,16,18,21H,4,9-12,14-15,17H2,(H,25,28)
InChIKeyYOCQYBNZQDBZTF-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.60
Rot. Bonds10

About 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 84567261) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID84567261
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESO=C(CCN(Cc1cccc2ccccc12)C1CC1)NCCCn1ccnc1
InChIInChI=1S/C23H28N4O/c28-23(25-12-4-14-26-16-13-24-18-26)11-15-27(21-9-10-21)17-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-8,13,16,18,21H,4,9-12,14-15,17H2,(H,25,28)
InChIKeyYOCQYBNZQDBZTF-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 84567683
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565103
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019
5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid
CID 84567246
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
N-(3-imidazol-1-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
CID 4637422
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 84567681

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide (CID 84567261) is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide is O=C(CCN(Cc1cccc2ccccc12)C1CC1)NCCCn1ccnc1.
What is the InChIKey of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is YOCQYBNZQDBZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(25-12-4-14-26-16-13-24-18-26)11-15-27(21-9-10-21)17-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-8,13,16,18,21H,4,9-12,14-15,17H2,(H,25,28).
What are the key properties of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide?
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 84567261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).