3-amino-N-(4-butoxy-2-methylphenyl)propanamide

C14H22N2O2 — CID 39353448

IUPAC3-amino-N-(4-butoxy-2-methylphenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCN)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-12-5-6-13(11(2)10-12)16-14(17)7-8-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyBQGNVQMCAAFXPX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.46
Rot. Bonds7

About 3-amino-N-(4-butoxy-2-methylphenyl)propanamide

3-amino-N-(4-butoxy-2-methylphenyl)propanamide (PubChem CID 39353448) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(4-butoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-butoxy-2-methylphenyl)propanamide
PubChem CID39353448
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(4-butoxy-2-methylphenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCN)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-18-12-5-6-13(11(2)10-12)16-14(17)7-8-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyBQGNVQMCAAFXPX-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
CID 39353469
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
4-(4-butoxy-2-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 119133688
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87043030
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-butoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-amino-N-(4-butoxy-2-methylphenyl)propanamide (CID 39353448) is 3-amino-N-(4-butoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-butoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(4-butoxy-2-methylphenyl)propanamide is CCCCOc1ccc(NC(=O)CCN)c(C)c1.
What is the InChIKey of 3-amino-N-(4-butoxy-2-methylphenyl)propanamide?
The InChIKey is BQGNVQMCAAFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-18-12-5-6-13(11(2)10-12)16-14(17)7-8-15/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(4-butoxy-2-methylphenyl)propanamide?
3-amino-N-(4-butoxy-2-methylphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-butoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 39353448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).