propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate

C15H22N2O4 — CID 137476904

IUPACpropan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
SMILESCc1cc(NC(=O)OC(C)C)cc(NC(=O)OC(C)C)c1
InChIInChI=1S/C15H22N2O4/c1-9(2)20-14(18)16-12-6-11(5)7-13(8-12)17-15(19)21-10(3)4/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKeyGESHAQRMKZACNI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.91
Rot. Bonds4

About propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate

propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate (PubChem CID 137476904) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
PubChem CID137476904
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namepropan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
SMILESCc1cc(NC(=O)OC(C)C)cc(NC(=O)OC(C)C)c1
InChIInChI=1S/C15H22N2O4/c1-9(2)20-14(18)16-12-6-11(5)7-13(8-12)17-15(19)21-10(3)4/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKeyGESHAQRMKZACNI-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(5-methyl-3-pyridinyl)carbamate
CID 107584983
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
CID 13304013
propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate
CID 91552777
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
5-(propan-2-yloxycarbonylamino)-2-propan-2-yloxycarbonyloxybenzoic acid
CID 139740995
propan-2-yl N-(4-bromo-3-nitrophenyl)carbamate
CID 116656691
propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
CID 13304051

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate?
The IUPAC name of propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate (CID 137476904) is propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate is Cc1cc(NC(=O)OC(C)C)cc(NC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate?
The InChIKey is GESHAQRMKZACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)20-14(18)16-12-6-11(5)7-13(8-12)17-15(19)21-10(3)4/h6-10H,1-5H3,(H,16,18)(H,17,19).
What are the key properties of propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate?
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 137476904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).