2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide

C14H22N2O2 — CID 116850832

IUPAC2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(N)C(N)=O)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-7-9(5-6-12(10)18-4)8-11(15)13(16)17/h5-7,11H,8,15H2,1-4H3,(H2,16,17)
InChIKeyRCAIGGAUCKOBFO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide

2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide (PubChem CID 116850832) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
PubChem CID116850832
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(N)C(N)=O)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-7-9(5-6-12(10)18-4)8-11(15)13(16)17/h5-7,11H,8,15H2,1-4H3,(H2,16,17)
InChIKeyRCAIGGAUCKOBFO-UHFFFAOYSA-N
XLogP1.35
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
2-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]guanidine
CID 112518697
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
[4-[(2S)-2,3-diamino-3-oxopropyl]-2-propanoyloxyphenyl] propanoate
CID 24759853
[4-(2,3-diamino-3-oxopropyl)-2-propanoyloxyphenyl] propanoate
CID 76723253

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide?
The IUPAC name of 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide (CID 116850832) is 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide?
The canonical SMILES for 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide is COc1ccc(CC(N)C(N)=O)cc1C(C)(C)C.
What is the InChIKey of 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide?
The InChIKey is RCAIGGAUCKOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)10-7-9(5-6-12(10)18-4)8-11(15)13(16)17/h5-7,11H,8,15H2,1-4H3,(H2,16,17).
What are the key properties of 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide?
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide is sourced from PubChem (CID 116850832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).