[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate

C16H25N3O4 — CID 171843698

IUPAC[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC)cc1
InChIInChI=1S/C16H25N3O4/c1-5-22-15(20)18(3)10-11-19(4)16(21)23-12-13-6-8-14(17-2)9-7-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyNEQDPABXDKWDCG-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.38
Rot. Bonds7

About [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate

[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 171843698) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID171843698
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC)cc1
InChIInChI=1S/C16H25N3O4/c1-5-22-15(20)18(3)10-11-19(4)16(21)23-12-13-6-8-14(17-2)9-7-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyNEQDPABXDKWDCG-UHFFFAOYSA-N
XLogP2.38
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
CID 171843577
ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 178047000
[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-methylphenyl)methyl N-[2-[butanoyl(methyl)amino]ethyl]-N-methylcarbamate
CID 178047297
carbanide;ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(oxomethyl)amino]ethyl]carbamate;vanadium(2+)
CID 178047272
(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 167648938
[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
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
CID 142561776

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate (CID 171843698) is [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate is CCOC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC)cc1.
What is the InChIKey of [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is NEQDPABXDKWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-5-22-15(20)18(3)10-11-19(4)16(21)23-12-13-6-8-14(17-2)9-7-13/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate?
[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 323.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 171843698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).