N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride

C20H25ClN2O — CID 120567542

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-3-7-16(8-4-2)20(23)22-19(14-21)18-12-11-15-9-5-6-10-17(15)13-18;/h3-6,9-13,16,19H,1-2,7-8,14,21H2,(H,22,23);1H
InChIKeyDFCSYYJURMTUMS-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.15
Rot. Bonds8

About N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride (PubChem CID 120567542) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
PubChem CID120567542
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-3-7-16(8-4-2)20(23)22-19(14-21)18-12-11-15-9-5-6-10-17(15)13-18;/h3-6,9-13,16,19H,1-2,7-8,14,21H2,(H,22,23);1H
InChIKeyDFCSYYJURMTUMS-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
(3S)-3-naphthalen-2-yl-3-(prop-2-enoxycarbonylamino)propanoic acid
CID 167739374
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 120567986
N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
CID 155970724
N-[(1R)-2-amino-1-naphthalen-2-ylethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 170899336
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride (CID 120567542) is N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride is C=CCC(CC=C)C(=O)NC(CN)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
The InChIKey is DFCSYYJURMTUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-3-7-16(8-4-2)20(23)22-19(14-21)18-12-11-15-9-5-6-10-17(15)13-18;/h3-6,9-13,16,19H,1-2,7-8,14,21H2,(H,22,23);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride is sourced from PubChem (CID 120567542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).