4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide

C18H22N2O — CID 89353009

IUPAC4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
SMILESC=C(N)CCC(=O)NCCCc1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c1-14(19)11-12-18(21)20-13-5-9-16-8-4-7-15-6-2-3-10-17(15)16/h2-4,6-8,10H,1,5,9,11-13,19H2,(H,20,21)
InChIKeyPNWPEEKCHANUNA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds7

About 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide

4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide (PubChem CID 89353009) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide.

Molecular Properties

Compound Name4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
PubChem CID89353009
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide
SMILESC=C(N)CCC(=O)NCCCc1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c1-14(19)11-12-18(21)20-13-5-9-16-8-4-7-15-6-2-3-10-17(15)16/h2-4,6-8,10H,1,5,9,11-13,19H2,(H,20,21)
InChIKeyPNWPEEKCHANUNA-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
CID 69310962
N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide
CID 102486340
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 100508752
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
3-naphthalen-1-ylpropyl carbamate
CID 175301350
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide?
The IUPAC name of 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide (CID 89353009) is 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide.
What is the SMILES notation for 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide?
The canonical SMILES for 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide is C=C(N)CCC(=O)NCCCc1cccc2ccccc12.
What is the InChIKey of 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide?
The InChIKey is PNWPEEKCHANUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(19)11-12-18(21)20-13-5-9-16-8-4-7-15-6-2-3-10-17(15)16/h2-4,6-8,10H,1,5,9,11-13,19H2,(H,20,21).
What are the key properties of 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide?
4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide has a molecular weight of 282.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-naphthalen-1-ylpropyl)pent-4-enamide is sourced from PubChem (CID 89353009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).