N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide

C14H21N3O3 — CID 70673037

IUPACN-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide
SMILESCCCCC(NC(=O)NC)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-12(17-14(20)15-2)13(19)16-10-6-8-11(18)9-7-10/h6-9,12,18H,3-5H2,1-2H3,(H,16,19)(H2,15,17,20)
InChIKeyHWYGMXOYYAEOTB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.82
Rot. Bonds6

About N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide

N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide (PubChem CID 70673037) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide
PubChem CID70673037
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide
SMILESCCCCC(NC(=O)NC)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-12(17-14(20)15-2)13(19)16-10-6-8-11(18)9-7-10/h6-9,12,18H,3-5H2,1-2H3,(H,16,19)(H2,15,17,20)
InChIKeyHWYGMXOYYAEOTB-UHFFFAOYSA-N
XLogP1.82
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
1-(4-hydroxyphenyl)-3-octatriacontan-2-ylurea
CID 70999279
2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide
CID 90387021
N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)hexanamide
CID 10184271
2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
CID 12850521
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
11-[[4-(4-hydroxyphenoxy)phenyl]carbamoylamino]-N-methyloctadecanamide
CID 70020028
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107145683
(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
CID 175961373

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide (CID 70673037) is N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide is CCCCC(NC(=O)NC)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide?
The InChIKey is HWYGMXOYYAEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-5-12(17-14(20)15-2)13(19)16-10-6-8-11(18)9-7-10/h6-9,12,18H,3-5H2,1-2H3,(H,16,19)(H2,15,17,20).
What are the key properties of N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide?
N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide has a molecular weight of 279.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(methylcarbamoylamino)hexanamide is sourced from PubChem (CID 70673037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).