2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide

C12H18N2O2 — CID 80505706

IUPAC2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
SMILESCC(Cc1ccc(O)cc1)N(C)CC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(14(2)8-12(13)16)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,16)
InChIKeyGQSBPKGEMSVXTR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.74
Rot. Bonds5

About 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide

2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide (PubChem CID 80505706) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
PubChem CID80505706
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
SMILESCC(Cc1ccc(O)cc1)N(C)CC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(14(2)8-12(13)16)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,16)
InChIKeyGQSBPKGEMSVXTR-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
2-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]acetamide
CID 82978784
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
CID 70366423
N-(2,4-difluorophenyl)-2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 71915630
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
CID 10587477
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide (CID 80505706) is 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide is CC(Cc1ccc(O)cc1)N(C)CC(N)=O.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide?
The InChIKey is GQSBPKGEMSVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14(2)8-12(13)16)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide?
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide is sourced from PubChem (CID 80505706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).