3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide

C14H22N2O2 — CID 141361888

IUPAC3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cccc(C(N)=O)c1CCCNC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)16-9-5-7-11-12(14(15)17)6-4-8-13(11)18-3/h4,6,8,10,16H,5,7,9H2,1-3H3,(H2,15,17)
InChIKeyNQSZOQNPHQHZAE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.72
Rot. Bonds7

About 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide

3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide (PubChem CID 141361888) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide
PubChem CID141361888
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cccc(C(N)=O)c1CCCNC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)16-9-5-7-11-12(14(15)17)6-4-8-13(11)18-3/h4,6,8,10,16H,5,7,9H2,1-3H3,(H2,15,17)
InChIKeyNQSZOQNPHQHZAE-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
CID 162717798
2-(3-propan-2-yloxypropyl)benzene-1,3-dicarboxamide
CID 69161570
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
CID 98783993
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 42904343
2-(3-carbamoyl-2-pentylphenoxy)acetic acid
CID 174675490
2,3-dimethoxybenzamide;hydrate
CID 141005510
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
2-ethyl-3-methoxybenzenecarbothioamide
CID 91875220
2-[2-[5-[[1-(2-carbamoylphenyl)-3-methyl-1-oxobutan-2-yl]amino]pentylamino]-3-methylbutanoyl]benzamide
CID 71117452
7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
CID 22170229
3-methoxy-2-methylbenzohydrazide
CID 45091273

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide (CID 141361888) is 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide is COc1cccc(C(N)=O)c1CCCNC(C)C.
What is the InChIKey of 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is NQSZOQNPHQHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-9-5-7-11-12(14(15)17)6-4-8-13(11)18-3/h4,6,8,10,16H,5,7,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide?
3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 141361888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).