3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide

C14H22N2O2 — CID 112501637

IUPAC3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)16-14(17)8-6-11-5-7-13(18-3)12(15)9-11/h5,7,9-10H,4,6,8,15H2,1-3H3,(H,16,17)
InChIKeyGRJZOSOFISHZNK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.12
Rot. Bonds6

About 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide

3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide (PubChem CID 112501637) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
PubChem CID112501637
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)16-14(17)8-6-11-5-7-13(18-3)12(15)9-11/h5,7,9-10H,4,6,8,15H2,1-3H3,(H,16,17)
InChIKeyGRJZOSOFISHZNK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
CID 100789348
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
CID 82027749

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide (CID 112501637) is 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCc1ccc(OC)c(N)c1.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide?
The InChIKey is GRJZOSOFISHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(2)16-14(17)8-6-11-5-7-13(18-3)12(15)9-11/h5,7,9-10H,4,6,8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide?
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide 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 3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide is sourced from PubChem (CID 112501637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).