2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate

C19H30N2O4 — CID 59102822

IUPAC2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate
SMILESCOC(C)COC(=O)NC(C)(C)c1cccc(C(C)(C)NC(C)=O)c1
InChIInChI=1S/C19H30N2O4/c1-13(24-7)12-25-17(23)21-19(5,6)16-10-8-9-15(11-16)18(3,4)20-14(2)22/h8-11,13H,12H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyKKCFBAASKUPVOT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.05
Rot. Bonds7

About 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate

2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate (PubChem CID 59102822) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Name2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate
PubChem CID59102822
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate
SMILESCOC(C)COC(=O)NC(C)(C)c1cccc(C(C)(C)NC(C)=O)c1
InChIInChI=1S/C19H30N2O4/c1-13(24-7)12-25-17(23)21-19(5,6)16-10-8-9-15(11-16)18(3,4)20-14(2)22/h8-11,13H,12H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyKKCFBAASKUPVOT-UHFFFAOYSA-N
XLogP3.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 19917557
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 176797628
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
2-[2-[3-[2-[1-(2-methylprop-2-enoyloxy)butan-2-yloxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl 2-methylprop-2-enoate
CID 122597647
butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
CID 20658639
3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl N-[2-(3-propan-2-ylphenyl)propan-2-yl]carbamate
CID 154536141
4-[2-[3-[2-(2-prop-2-enoyloxyethoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597569
[3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 19917531
2-[2-[3-[2-(1-prop-2-enoyloxybutan-2-yloxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597571
3-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]propyl N-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-yl]carbamate
CID 88854435
[2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl] 2-methylprop-2-enoate
CID 139759670

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate?
The IUPAC name of 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate (CID 59102822) is 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate is COC(C)COC(=O)NC(C)(C)c1cccc(C(C)(C)NC(C)=O)c1.
What is the InChIKey of 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate?
The InChIKey is KKCFBAASKUPVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13(24-7)12-25-17(23)21-19(5,6)16-10-8-9-15(11-16)18(3,4)20-14(2)22/h8-11,13H,12H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate?
2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 59102822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).