5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide

C14H22N2O2 — CID 120616939

IUPAC5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)NCCCOC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)18-8-4-7-16-14(17)13-9-12(15)6-5-11(13)3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyFAVVOUJVKOISDI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.12
Rot. Bonds6

About 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide

5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 120616939) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID120616939
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)NCCCOC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)18-8-4-7-16-14(17)13-9-12(15)6-5-11(13)3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyFAVVOUJVKOISDI-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
CID 120630633
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide (CID 120616939) is 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1ccc(N)cc1C(=O)NCCCOC(C)C.
What is the InChIKey of 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is FAVVOUJVKOISDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)18-8-4-7-16-14(17)13-9-12(15)6-5-11(13)3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.12, 6 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-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 120616939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).