dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate

C21H35NO5 — CID 66562801

IUPACdodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate
SMILESCCCCCCCCCCCCOC(=O)N(O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C21H35NO5/c1-3-4-5-6-7-8-9-10-11-12-15-27-21(24)22(25)17-18-13-14-19(23)20(16-18)26-2/h13-14,16,23,25H,3-12,15,17H2,1-2H3
InChIKeyLKAPMYUNPYTLAH-UHFFFAOYSA-N
MW381.51 g/mol
LogP5.65
Rot. Bonds14

About dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate

dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate (PubChem CID 66562801) has the molecular formula C21H35NO5 and a molecular weight of 381.51 g/mol. Its IUPAC name is dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namedodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate
PubChem CID66562801
Molecular FormulaC21H35NO5
Molecular Weight381.51 g/mol
Exact Mass381.25
IUPAC Namedodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate
SMILESCCCCCCCCCCCCOC(=O)N(O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C21H35NO5/c1-3-4-5-6-7-8-9-10-11-12-15-27-21(24)22(25)17-18-13-14-19(23)20(16-18)26-2/h13-14,16,23,25H,3-12,15,17H2,1-2H3
InChIKeyLKAPMYUNPYTLAH-UHFFFAOYSA-N
XLogP5.65
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.51
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
CID 66562707
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6440080
pentadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11407056
2-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
CID 68625712
pentacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163044714
octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5320256
nonadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 101186931

Frequently Asked Questions

What is the IUPAC name of dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate?
The IUPAC name of dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate (CID 66562801) is dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate is CCCCCCCCCCCCOC(=O)N(O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate?
The InChIKey is LKAPMYUNPYTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO5/c1-3-4-5-6-7-8-9-10-11-12-15-27-21(24)22(25)17-18-13-14-19(23)20(16-18)26-2/h13-14,16,23,25H,3-12,15,17H2,1-2H3.
What are the key properties of dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate?
dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate has a molecular weight of 381.51 g/mol, XLogP of 5.65, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl N-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 66562801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).