N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide

C14H22N2O2 — CID 119581308

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
SMILESCC(CN)N(C)C(=O)CCCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(11-15)16(2)14(17)9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3
InChIKeyIGEAPHPRLDVBRU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.65
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide

N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide (PubChem CID 119581308) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
PubChem CID119581308
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
SMILESCC(CN)N(C)C(=O)CCCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(11-15)16(2)14(17)9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3
InChIKeyIGEAPHPRLDVBRU-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584124
N-(1-aminopropan-2-yl)-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119583859
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide (CID 119581308) is N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide is CC(CN)N(C)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide?
The InChIKey is IGEAPHPRLDVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(11-15)16(2)14(17)9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide?
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide is sourced from PubChem (CID 119581308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).