(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate

C16H26N2O2 — CID 170086914

IUPAC(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCNC(=O)OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14-8-6-13(7-9-14)12-20-15(19)17-10-11-18(4)5/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyYXRDZXJGZPKOTK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.77
Rot. Bonds5

About (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate

(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 170086914) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
PubChem CID170086914
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCNC(=O)OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14-8-6-13(7-9-14)12-20-15(19)17-10-11-18(4)5/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyYXRDZXJGZPKOTK-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
[4-[2-(dimethylamino)ethylcarbamoyloxymethyl]phenyl] sulfite
CID 137403485
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate
CID 178047319
3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016257
benzyl N-[3-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propyl]carbamate
CID 171775368
(4-aminophenyl)methyl N-propylcarbamate
CID 142910481
(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid
CID 161141671
4-tert-butyl-N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 2392296
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 72722359
cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
CID 163963342

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate (CID 170086914) is (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate is CN(C)CCNC(=O)OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is YXRDZXJGZPKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)14-8-6-13(7-9-14)12-20-15(19)17-10-11-18(4)5/h6-9H,10-12H2,1-5H3,(H,17,19).
What are the key properties of (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate?
(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 170086914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).