5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide

C19H24N2O2 — CID 120625790

IUPAC5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)COCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(12-23-13-16-6-4-3-5-7-16)11-21-19(22)18-10-17(20)9-8-15(18)2/h3-10,14H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyAQDXTWGZFMNAIN-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.16
Rot. Bonds7

About 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide

5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide (PubChem CID 120625790) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
PubChem CID120625790
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)NCC(C)COCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(12-23-13-16-6-4-3-5-7-16)11-21-19(22)18-10-17(20)9-8-15(18)2/h3-10,14H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyAQDXTWGZFMNAIN-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
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-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
CID 119304384
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
CID 120630633
N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 119750683

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide (CID 120625790) is 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide is Cc1ccc(N)cc1C(=O)NCC(C)COCc1ccccc1.
What is the InChIKey of 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide?
The InChIKey is AQDXTWGZFMNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(12-23-13-16-6-4-3-5-7-16)11-21-19(22)18-10-17(20)9-8-15(18)2/h3-10,14H,11-13,20H2,1-2H3,(H,21,22).
What are the key properties of 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide?
5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide is sourced from PubChem (CID 120625790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).