[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate

C13H18N2O4 — CID 146623345

IUPAC[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate
SMILESCC(C)NC(=O)C(Cc1ccc(O)cc1)OC(N)=O
InChIInChI=1S/C13H18N2O4/c1-8(2)15-12(17)11(19-13(14)18)7-9-3-5-10(16)6-4-9/h3-6,8,11,16H,7H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyICEGPEKNEAARHY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.92
Rot. Bonds5

About [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate

[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate (PubChem CID 146623345) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate
PubChem CID146623345
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate
SMILESCC(C)NC(=O)C(Cc1ccc(O)cc1)OC(N)=O
InChIInChI=1S/C13H18N2O4/c1-8(2)15-12(17)11(19-13(14)18)7-9-3-5-10(16)6-4-9/h3-6,8,11,16H,7H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyICEGPEKNEAARHY-UHFFFAOYSA-N
XLogP0.92
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate
CID 68679680
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
(2R)-3-(4-hydroxyphenyl)-2-(propan-2-ylcarbamoylamino)propanoic acid
CID 28737836
(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
CID 7023501
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
CID 173177710
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 61148762
2-amino-3-(4-hydroxyphenyl)-N-(1-methylcyclobutyl)propanamide
CID 114350759
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
methyl (2S)-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoate
CID 104904819

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate?
The IUPAC name of [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate (CID 146623345) is [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate.
What is the SMILES notation for [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate?
The canonical SMILES for [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate is CC(C)NC(=O)C(Cc1ccc(O)cc1)OC(N)=O.
What is the InChIKey of [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate?
The InChIKey is ICEGPEKNEAARHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)15-12(17)11(19-13(14)18)7-9-3-5-10(16)6-4-9/h3-6,8,11,16H,7H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate?
[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate is sourced from PubChem (CID 146623345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).