ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate

C14H23N3O3 — CID 142474647

IUPACethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCC.CNC(=O)CNC(=O)OCc1ccc(NC)cc1
InChIInChI=1S/C12H17N3O3.C2H6/c1-13-10-5-3-9(4-6-10)8-18-12(17)15-7-11(16)14-2;1-2/h3-6,13H,7-8H2,1-2H3,(H,14,16)(H,15,17);1-2H3
InChIKeyVUTHVBXUYCEICW-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.73
Rot. Bonds5

About ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate

ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 142474647) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
PubChem CID142474647
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCC.CNC(=O)CNC(=O)OCc1ccc(NC)cc1
InChIInChI=1S/C12H17N3O3.C2H6/c1-13-10-5-3-9(4-6-10)8-18-12(17)15-7-11(16)14-2;1-2/h3-6,13H,7-8H2,1-2H3,(H,14,16)(H,15,17);1-2H3
InChIKeyVUTHVBXUYCEICW-UHFFFAOYSA-N
XLogP1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
[4-(chloroamino)phenyl]methyl N-methylcarbamate
CID 139307114
[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
CID 130458380
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
tert-butyl N-[2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 142045307
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium
CID 143747920
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
CID 142561776
[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate
CID 170966798

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The IUPAC name of ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate (CID 142474647) is ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The canonical SMILES for ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate is CC.CNC(=O)CNC(=O)OCc1ccc(NC)cc1.
What is the InChIKey of ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The InChIKey is VUTHVBXUYCEICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.C2H6/c1-13-10-5-3-9(4-6-10)8-18-12(17)15-7-11(16)14-2;1-2/h3-6,13H,7-8H2,1-2H3,(H,14,16)(H,15,17);1-2H3.
What are the key properties of ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate?
ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 142474647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).