propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate

C29H49NO4 — CID 130323714

IUPACpropan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OC(C)C)ccc1OC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C29H49NO4/c1-24(2)33-29(31)30-22-21-25-19-20-27(28(23-25)32-3)34-26-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26/h19-20,23-24,26H,4-18,21-22H2,1-3H3,(H,30,31)
InChIKeyBTDACUPBQQQSQQ-UHFFFAOYSA-N
MW475.71 g/mol
LogP7.98
Rot. Bonds7

About propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate

propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate (PubChem CID 130323714) has the molecular formula C29H49NO4 and a molecular weight of 475.71 g/mol. Its IUPAC name is propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate
PubChem CID130323714
Molecular FormulaC29H49NO4
Molecular Weight475.71 g/mol
Exact Mass475.37
IUPAC Namepropan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OC(C)C)ccc1OC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C29H49NO4/c1-24(2)33-29(31)30-22-21-25-19-20-27(28(23-25)32-3)34-26-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26/h19-20,23-24,26H,4-18,21-22H2,1-3H3,(H,30,31)
InChIKeyBTDACUPBQQQSQQ-UHFFFAOYSA-N
XLogP7.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.71
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 19707495
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
1-[2-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,5-dichloro-4-pyridinyl)thiourea
CID 983123
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
CID 16722816
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 60585163
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1R,3R)-3-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 94855250
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate (CID 130323714) is propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate is COc1cc(CCNC(=O)OC(C)C)ccc1OC1CCCCCCCCCCCCCCC1.
What is the InChIKey of propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate?
The InChIKey is BTDACUPBQQQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H49NO4/c1-24(2)33-29(31)30-22-21-25-19-20-27(28(23-25)32-3)34-26-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26/h19-20,23-24,26H,4-18,21-22H2,1-3H3,(H,30,31).
What are the key properties of propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate?
propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate has a molecular weight of 475.71 g/mol, XLogP of 7.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 130323714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).