[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate

C18H29N3O3 — CID 135270980

IUPAC[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate
SMILESCNc1ccc(COC(=O)N(C)CC(C)(C)CN(C)C(C)=O)cc1
InChIInChI=1S/C18H29N3O3/c1-14(22)20(5)12-18(2,3)13-21(6)17(23)24-11-15-7-9-16(19-4)10-8-15/h7-10,19H,11-13H2,1-6H3
InChIKeyRWRFGGIYIOSLNS-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.80
Rot. Bonds7

About [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate

[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate (PubChem CID 135270980) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Name[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate
PubChem CID135270980
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate
SMILESCNc1ccc(COC(=O)N(C)CC(C)(C)CN(C)C(C)=O)cc1
InChIInChI=1S/C18H29N3O3/c1-14(22)20(5)12-18(2,3)13-21(6)17(23)24-11-15-7-9-16(19-4)10-8-15/h7-10,19H,11-13H2,1-6H3
InChIKeyRWRFGGIYIOSLNS-UHFFFAOYSA-N
XLogP2.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
CID 171843698
methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
CID 171843577
[4-(methylamino)phenyl]methyl 2,2-dimethylpropanoate;molecular hydrogen
CID 142561776
[4-[4-(methylamino)phenyl]phenyl]methyl acetate
CID 160628710
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
benzyl N-(2,2-dimethyl-6-oxohexyl)-N-methylcarbamate
CID 171078650
iodo N-[2-[[4-(iodoamino)phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 171843588
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylacetamide
CID 20651628
N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide
CID 115161121
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
[4-[2-(2-hydroxyethoxy)ethyl-[2-[methyl-[[4-(methylamino)phenyl]methoxycarbonyl]amino]ethyl]carbamoyl]oxyphenyl]methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 134433205

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate?
The IUPAC name of [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate (CID 135270980) is [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate.
What is the SMILES notation for [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate?
The canonical SMILES for [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate is CNc1ccc(COC(=O)N(C)CC(C)(C)CN(C)C(C)=O)cc1.
What is the InChIKey of [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate?
The InChIKey is RWRFGGIYIOSLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(22)20(5)12-18(2,3)13-21(6)17(23)24-11-15-7-9-16(19-4)10-8-15/h7-10,19H,11-13H2,1-6H3.
What are the key properties of [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate?
[4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate has a molecular weight of 335.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]methyl N-[3-[acetyl(methyl)amino]-2,2-dimethylpropyl]-N-methylcarbamate is sourced from PubChem (CID 135270980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).