N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide

C21H34N2O3 — CID 70018191

IUPACN-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide
SMILESCCCCCCCCCCCCN(C(N)=O)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-16-23(21(22)26)20(25)17-18-12-14-19(24)15-13-18/h12-15,24H,2-11,16-17H2,1H3,(H2,22,26)
InChIKeyXJKOAWFVYCTQLT-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.76
Rot. Bonds13

About N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide

N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide (PubChem CID 70018191) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide
PubChem CID70018191
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide
SMILESCCCCCCCCCCCCN(C(N)=O)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-16-23(21(22)26)20(25)17-18-12-14-19(24)15-13-18/h12-15,24H,2-11,16-17H2,1H3,(H2,22,26)
InChIKeyXJKOAWFVYCTQLT-UHFFFAOYSA-N
XLogP4.76
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-docosyl-1-[3-(4-hydroxyphenyl)propyl]urea
CID 70039834
N-(2,2-diaminoacetyl)-4-hydroxy-N-octylbenzamide
CID 67571411
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-hexylamino]-3-methylpentanamide
CID 174387230
(2E,4E)-dodeca-2,4-diene;2-(4-hydroxyphenyl)acetamide
CID 118377657
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-[[carbamoyl(octadecyl)amino]methyl]-4-(4-hydroxyphenoxy)benzamide
CID 70017748
N-[[carbamoyl(octadecyl)amino]methyl]-2-(4-hydroxyphenyl)sulfanylacetamide
CID 67644596
4-[nonyl(pentyl)amino]phenol
CID 174874757
methanolate;nickel(3+);4-octylphenol
CID 159960852
N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide
CID 67643355

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide (CID 70018191) is N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide is CCCCCCCCCCCCN(C(N)=O)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide?
The InChIKey is XJKOAWFVYCTQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-16-23(21(22)26)20(25)17-18-12-14-19(24)15-13-18/h12-15,24H,2-11,16-17H2,1H3,(H2,22,26).
What are the key properties of N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide?
N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide has a molecular weight of 362.51 g/mol, XLogP of 4.76, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-dodecyl-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 70018191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).