N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride

C23H27ClN2O3 — CID 120567754

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
SMILESCOCCCOc1ccc(C(=O)NC(CN)c2ccc3ccccc3c2)cc1.Cl
InChIInChI=1S/C23H26N2O3.ClH/c1-27-13-4-14-28-21-11-9-18(10-12-21)23(26)25-22(16-24)20-8-7-17-5-2-3-6-19(17)15-20;/h2-3,5-12,15,22H,4,13-14,16,24H2,1H3,(H,25,26);1H
InChIKeyREFBOHAULTWUFT-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.11
Rot. Bonds9

About N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride (PubChem CID 120567754) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
PubChem CID120567754
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
SMILESCOCCCOc1ccc(C(=O)NC(CN)c2ccc3ccccc3c2)cc1.Cl
InChIInChI=1S/C23H26N2O3.ClH/c1-27-13-4-14-28-21-11-9-18(10-12-21)23(26)25-22(16-24)20-8-7-17-5-2-3-6-19(17)15-20;/h2-3,5-12,15,22H,4,13-14,16,24H2,1H3,(H,25,26);1H
InChIKeyREFBOHAULTWUFT-UHFFFAOYSA-N
XLogP4.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.11
H-Bond Donors ≤ 52
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-amino-1-naphthalen-2-ylethyl)-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 120597733
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 120568008
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
CID 120508145
N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120567632
(3-methoxy-1-naphthalen-2-ylpropyl)hydrazine
CID 105206319
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride (CID 120567754) is N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride is COCCCOc1ccc(C(=O)NC(CN)c2ccc3ccccc3c2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride?
The InChIKey is REFBOHAULTWUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3.ClH/c1-27-13-4-14-28-21-11-9-18(10-12-21)23(26)25-22(16-24)20-8-7-17-5-2-3-6-19(17)15-20;/h2-3,5-12,15,22H,4,13-14,16,24H2,1H3,(H,25,26);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride has a molecular weight of 414.93 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride is sourced from PubChem (CID 120567754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).