(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate

C19H26N2O6 — CID 139809079

IUPAC(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate
SMILESCc1ccc(NC(=O)OCC2(C)COC2)cc1NC(=O)OCC1(C)COC1
InChIInChI=1S/C19H26N2O6/c1-13-4-5-14(20-16(22)26-11-18(2)7-24-8-18)6-15(13)21-17(23)27-12-19(3)9-25-10-19/h4-6H,7-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyTXDSXYIADMADKK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.17
Rot. Bonds6

About (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate

(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate (PubChem CID 139809079) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate
PubChem CID139809079
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate
SMILESCc1ccc(NC(=O)OCC2(C)COC2)cc1NC(=O)OCC1(C)COC1
InChIInChI=1S/C19H26N2O6/c1-13-4-5-14(20-16(22)26-11-18(2)7-24-8-18)6-15(13)21-17(23)27-12-19(3)9-25-10-19/h4-6H,7-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyTXDSXYIADMADKK-UHFFFAOYSA-N
XLogP3.17
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-aminoethyl N-[3-(2-aminoethoxycarbonylamino)-4-methylphenyl]carbamate;ethane;molecular hydrogen
CID 156808117
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
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(2-oxo-1,3-oxathiolan-5-yl)methyl N-[2-methyl-5-[(2-oxo-1,3-oxathiolan-5-yl)methoxycarbonylamino]phenyl]carbamate
CID 102406993
2-azidoethyl N-[3-(2-azidoethoxycarbonylamino)-4-methylphenyl]carbamate
CID 90222016
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl N-[2-methyl-5-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxycarbonylamino]phenyl]carbamate
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(1-methylcyclopropyl)methyl N-(4-aminophenyl)carbamate
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(4-prop-2-enylcyclohexyl)methyl N-[2-methyl-5-[(4-prop-2-enylcyclohexyl)methoxycarbonylamino]phenyl]carbamate
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CID 120922553
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl N-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxycarbonylamino)-4-methylphenyl]carbamate
CID 102261287
1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 115452348
2-O,4-O-bis(2-hydroxybutyl) 1-O,5-O-dipropyl benzene-1,2,4,5-tetracarboxylate;propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate
CID 159322744
ethyl N-[[3-[(ethoxycarbonylamino)carbamoylamino]-4-methylphenyl]carbamoylamino]carbamate
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Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate?
The IUPAC name of (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate (CID 139809079) is (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate is Cc1ccc(NC(=O)OCC2(C)COC2)cc1NC(=O)OCC1(C)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate?
The InChIKey is TXDSXYIADMADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-13-4-5-14(20-16(22)26-11-18(2)7-24-8-18)6-15(13)21-17(23)27-12-19(3)9-25-10-19/h4-6H,7-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate?
(3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate has a molecular weight of 378.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl N-[2-methyl-5-[(3-methyloxetan-3-yl)methoxycarbonylamino]phenyl]carbamate is sourced from PubChem (CID 139809079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).