tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate

C19H32N2O2 — CID 107253386

IUPACtert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
SMILESCC(C)CC(C)NC(C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-13(2)12-14(3)20-15(4)16-8-10-17(11-9-16)21-18(22)23-19(5,6)7/h8-11,13-15,20H,12H2,1-7H3,(H,21,22)
InChIKeyYYMQUMIFDPAVCA-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.12
Rot. Bonds6

About tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate

tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate (PubChem CID 107253386) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
PubChem CID107253386
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
SMILESCC(C)CC(C)NC(C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-13(2)12-14(3)20-15(4)16-8-10-17(11-9-16)21-18(22)23-19(5,6)7/h8-11,13-15,20H,12H2,1-7H3,(H,21,22)
InChIKeyYYMQUMIFDPAVCA-UHFFFAOYSA-N
XLogP5.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate 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

tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
CID 107253394
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
CID 113354871
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
CID 45351440
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate (CID 107253386) is tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate is CC(C)CC(C)NC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate?
The InChIKey is YYMQUMIFDPAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-13(2)12-14(3)20-15(4)16-8-10-17(11-9-16)21-18(22)23-19(5,6)7/h8-11,13-15,20H,12H2,1-7H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate?
tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate is sourced from PubChem (CID 107253386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).