5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C21H23N3O — CID 163231886

IUPAC5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCCNc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-3-23-20-12-11-16(22)13-19(20)21(25)24-14(2)17-10-6-8-15-7-4-5-9-18(15)17/h4-14,23H,3,22H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyXKNIQMINQYRLON-CQSZACIVSA-N
MW333.44 g/mol
LogP4.34
Rot. Bonds5

About 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231886) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID163231886
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCCNc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H23N3O/c1-3-23-20-12-11-16(22)13-19(20)21(25)24-14(2)17-10-6-8-15-7-4-5-9-18(15)17/h4-14,23H,3,22H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyXKNIQMINQYRLON-CQSZACIVSA-N
XLogP4.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
CID 170337610
N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide
CID 175711089
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
1-ethyl-2,5-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrrole-3-carboxamide
CID 34404237
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide
CID 163231497
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231886) is 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is CCNc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is XKNIQMINQYRLON-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-23-20-12-11-16(22)13-19(20)21(25)24-14(2)17-10-6-8-15-7-4-5-9-18(15)17/h4-14,23H,3,22H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 333.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).