tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate

C23H38N2O3 — CID 143822855

IUPACtert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate
SMILESCC(=O)CN(CCCNC(=O)OC(C)(C)C)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H38N2O3/c1-17(26)16-25(15-9-14-24-21(27)28-23(6,7)8)18(2)19-10-12-20(13-11-19)22(3,4)5/h10-13,18H,9,14-16H2,1-8H3,(H,24,27)
InChIKeyJMFCISZDXDWFAC-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.85
Rot. Bonds8

About tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate

tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate (PubChem CID 143822855) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate
PubChem CID143822855
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Nametert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate
SMILESCC(=O)CN(CCCNC(=O)OC(C)(C)C)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H38N2O3/c1-17(26)16-25(15-9-14-24-21(27)28-23(6,7)8)18(2)19-10-12-20(13-11-19)22(3,4)5/h10-13,18H,9,14-16H2,1-8H3,(H,24,27)
InChIKeyJMFCISZDXDWFAC-UHFFFAOYSA-N
XLogP4.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]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-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[2-[1-(3-chlorophenyl)ethyl-ethylamino]ethyl]carbamate
CID 169245468
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-[3-[1-[4-(dimethylamino)phenyl]ethylamino]propyl]carbamate
CID 103781090
tert-butyl N-[3-[3-[(4-tert-butylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921611
2-[carboxymethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetic acid
CID 141486592
tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
tert-butyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171884677
2-[[(2S)-2-[bis[3-[[(2S)-2-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-methylbutanoyl]amino]propyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 100977480
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[1-[4-(4-amino-5-iodo-2-oxopyrimidin-1-yl)phenyl]ethyl]-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 78031603

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate (CID 143822855) is tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate is CC(=O)CN(CCCNC(=O)OC(C)(C)C)C(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate?
The InChIKey is JMFCISZDXDWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-17(26)16-25(15-9-14-24-21(27)28-23(6,7)8)18(2)19-10-12-20(13-11-19)22(3,4)5/h10-13,18H,9,14-16H2,1-8H3,(H,24,27).
What are the key properties of tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate?
tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate has a molecular weight of 390.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(4-tert-butylphenyl)ethyl-(2-oxopropyl)amino]propyl]carbamate is sourced from PubChem (CID 143822855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).