methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen

C16H29N3O4 — CID 171843577

IUPACmethane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
SMILESC.CNc1ccc(COC(=O)N(C)CCN(C)C(=O)OC)cc1.[H][H]
InChIInChI=1S/C15H23N3O4.CH4.H2/c1-16-13-7-5-12(6-8-13)11-22-15(20)18(3)10-9-17(2)14(19)21-4;;/h5-8,16H,9-11H2,1-4H3;1H4;1H
InChIKeyRHUCLIVZMLGJTJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.88
Rot. Bonds6

About methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen

methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen (PubChem CID 171843577) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen.

Molecular Properties

Compound Namemethane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
PubChem CID171843577
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Namemethane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
SMILESC.CNc1ccc(COC(=O)N(C)CCN(C)C(=O)OC)cc1.[H][H]
InChIInChI=1S/C15H23N3O4.CH4.H2/c1-16-13-7-5-12(6-8-13)11-22-15(20)18(3)10-9-17(2)14(19)21-4;;/h5-8,16H,9-11H2,1-4H3;1H4;1H
InChIKeyRHUCLIVZMLGJTJ-UHFFFAOYSA-N
XLogP2.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
CID 171843698
[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate
CID 135270980
iodo N-[2-[[4-(iodoamino)phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 171843588
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
CID 142561776
[4-[2-(2-hydroxyethoxy)ethyl-[2-[methyl-[[4-(methylamino)phenyl]methoxycarbonyl]amino]ethyl]carbamoyl]oxyphenyl]methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 134433205
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 178047000
carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)
CID 178047272
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
(4-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate
CID 178047297
(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 167648938
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333

Frequently Asked Questions

What is the IUPAC name of methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen?
The IUPAC name of methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen (CID 171843577) is methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen.
What is the SMILES notation for methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen?
The canonical SMILES for methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen is C.CNc1ccc(COC(=O)N(C)CCN(C)C(=O)OC)cc1.[H][H].
What is the InChIKey of methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen?
The InChIKey is RHUCLIVZMLGJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4.CH4.H2/c1-16-13-7-5-12(6-8-13)11-22-15(20)18(3)10-9-17(2)14(19)21-4;;/h5-8,16H,9-11H2,1-4H3;1H4;1H.
What are the key properties of methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen?
methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen has a molecular weight of 327.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen is sourced from PubChem (CID 171843577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).