5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide

C22H25N3O — CID 163231497

IUPAC5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide
SMILESCC(C)CNc1ccc(N)cc1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C22H25N3O/c1-15(2)13-24-21-11-10-18(23)12-20(21)22(26)25-14-17-8-5-7-16-6-3-4-9-19(16)17/h3-12,15,24H,13-14,23H2,1-2H3,(H,25,26)
InChIKeyNIPGDNFSKCOTLH-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.42
Rot. Bonds6

About 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide

5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 163231497) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide
PubChem CID163231497
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide
SMILESCC(C)CNc1ccc(N)cc1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C22H25N3O/c1-15(2)13-24-21-11-10-18(23)12-20(21)22(26)25-14-17-8-5-7-16-6-3-4-9-19(16)17/h3-12,15,24H,13-14,23H2,1-2H3,(H,25,26)
InChIKeyNIPGDNFSKCOTLH-UHFFFAOYSA-N
XLogP4.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.42
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

5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
methyl 5-amino-2-(2-methylpropylamino)benzoate
CID 61312657
5-amino-2-(ethylamino)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231886
5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide
CID 68562260
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748
[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100638822
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide?
The IUPAC name of 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide (CID 163231497) is 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide is CC(C)CNc1ccc(N)cc1C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide?
The InChIKey is NIPGDNFSKCOTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(2)13-24-21-11-10-18(23)12-20(21)22(26)25-14-17-8-5-7-16-6-3-4-9-19(16)17/h3-12,15,24H,13-14,23H2,1-2H3,(H,25,26).
What are the key properties of 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide?
5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylpropylamino)-N-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 163231497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).