[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate

C17H29N3O2 — CID 171843537

IUPAC[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CCN(C)C)C(=O)OCc1ccc(NC(C)C)cc1
InChIInChI=1S/C17H29N3O2/c1-6-20(12-11-19(4)5)17(21)22-13-15-7-9-16(10-8-15)18-14(2)3/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyDWJRNLNVPCVEFN-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.03
Rot. Bonds8

About [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate

[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate (PubChem CID 171843537) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Name[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
PubChem CID171843537
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CCN(C)C)C(=O)OCc1ccc(NC(C)C)cc1
InChIInChI=1S/C17H29N3O2/c1-6-20(12-11-19(4)5)17(21)22-13-15-7-9-16(10-8-15)18-14(2)3/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyDWJRNLNVPCVEFN-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(2S)-2-[[(2S)-2-formamido-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 167041985
benzyl N-ethyl-N-propylcarbamate
CID 126656974
ethyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 143172313
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;4-methyl-N-propan-2-ylaniline
CID 142404040
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one
CID 155214623
[4-(methylamino)phenyl]methyl N-[2-[ethoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate
CID 171843698
[4-(propan-2-ylamino)phenyl]methyl N-(3-methyl-2-oxobutyl)carbamate;[4-(propan-2-ylamino)phenyl]methyl 2-methylpropanoate
CID 162079113
ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen
CID 172602788
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
CID 57047709

Frequently Asked Questions

What is the IUPAC name of [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
The IUPAC name of [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate (CID 171843537) is [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate.
What is the SMILES notation for [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
The canonical SMILES for [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate is CCN(CCN(C)C)C(=O)OCc1ccc(NC(C)C)cc1.
What is the InChIKey of [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
The InChIKey is DWJRNLNVPCVEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-20(12-11-19(4)5)17(21)22-13-15-7-9-16(10-8-15)18-14(2)3/h7-10,14,18H,6,11-13H2,1-5H3.
What are the key properties of [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate?
[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate has a molecular weight of 307.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 171843537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).