2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide

C14H22N2O2 — CID 115152376

IUPAC2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
SMILESCOc1cc(C(C)C)ccc1CNC(=O)C(C)N
InChIInChI=1S/C14H22N2O2/c1-9(2)11-5-6-12(13(7-11)18-4)8-16-14(17)10(3)15/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyBQALQSKBFSYHFB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide

2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 115152376) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
PubChem CID115152376
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
SMILESCOc1cc(C(C)C)ccc1CNC(=O)C(C)N
InChIInChI=1S/C14H22N2O2/c1-9(2)11-5-6-12(13(7-11)18-4)8-16-14(17)10(3)15/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyBQALQSKBFSYHFB-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110794193
2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
CID 115152405
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
CID 110769385
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide (CID 115152376) is 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide is COc1cc(C(C)C)ccc1CNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is BQALQSKBFSYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)11-5-6-12(13(7-11)18-4)8-16-14(17)10(3)15/h5-7,9-10H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide?
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 115152376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).