3-amino-N-(2-methylpropyl)-4-propoxybenzamide

C14H22N2O2 — CID 82070281

IUPAC3-amino-N-(2-methylpropyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-7-18-13-6-5-11(8-12(13)15)14(17)16-9-10(2)3/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyOGLOWLNXOQBWQS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds6

About 3-amino-N-(2-methylpropyl)-4-propoxybenzamide

3-amino-N-(2-methylpropyl)-4-propoxybenzamide (PubChem CID 82070281) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2-methylpropyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylpropyl)-4-propoxybenzamide
PubChem CID82070281
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2-methylpropyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-7-18-13-6-5-11(8-12(13)15)14(17)16-9-10(2)3/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyOGLOWLNXOQBWQS-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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

3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070467
2-[(3-amino-4-propoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 110496619
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
CID 110496617
3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 110496641
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
methyl 3-amino-4-propoxybenzoate
CID 43380309
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpropyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(2-methylpropyl)-4-propoxybenzamide (CID 82070281) is 3-amino-N-(2-methylpropyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-methylpropyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(2-methylpropyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(C)C)cc1N.
What is the InChIKey of 3-amino-N-(2-methylpropyl)-4-propoxybenzamide?
The InChIKey is OGLOWLNXOQBWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-7-18-13-6-5-11(8-12(13)15)14(17)16-9-10(2)3/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2-methylpropyl)-4-propoxybenzamide?
3-amino-N-(2-methylpropyl)-4-propoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpropyl)-4-propoxybenzamide is sourced from PubChem (CID 82070281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).