[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid

C18H21NO3 — CID 143540214

IUPAC[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
SMILESO=C(O)N(CCc1ccccc1)Cc1ccc(CCO)cc1
InChIInChI=1S/C18H21NO3/c20-13-11-16-6-8-17(9-7-16)14-19(18(21)22)12-10-15-4-2-1-3-5-15/h1-9,20H,10-14H2,(H,21,22)
InChIKeyZXASYXORPLDIQA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.94
Rot. Bonds7

About [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid

[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid (PubChem CID 143540214) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
PubChem CID143540214
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
SMILESO=C(O)N(CCc1ccccc1)Cc1ccc(CCO)cc1
InChIInChI=1S/C18H21NO3/c20-13-11-16-6-8-17(9-7-16)14-19(18(21)22)12-10-15-4-2-1-3-5-15/h1-9,20H,10-14H2,(H,21,22)
InChIKeyZXASYXORPLDIQA-UHFFFAOYSA-N
XLogP2.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
4-[benzyl(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 6735055
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
formaldehyde;2-phenylethanol
CID 143785167
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
CID 42706280
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
nitro N-benzyl-N-(2-phenylethyl)carbamate
CID 175602568
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid?
The IUPAC name of [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid (CID 143540214) is [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid.
What is the SMILES notation for [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid?
The canonical SMILES for [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid is O=C(O)N(CCc1ccccc1)Cc1ccc(CCO)cc1.
What is the InChIKey of [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid?
The InChIKey is ZXASYXORPLDIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-13-11-16-6-8-17(9-7-16)14-19(18(21)22)12-10-15-4-2-1-3-5-15/h1-9,20H,10-14H2,(H,21,22).
What are the key properties of [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid?
[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid has a molecular weight of 299.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid is sourced from PubChem (CID 143540214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).