tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate

C19H29N3O3 — CID 113247856

IUPACtert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
SMILESCC(=O)Nc1ccc(NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-13(23)20-14-8-10-15(11-9-14)21-16-6-5-7-17(12-16)22-18(24)25-19(2,3)4/h8-11,16-17,21H,5-7,12H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyPTIGMZRZWVYPLN-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.89
Rot. Bonds4

About tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate

tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate (PubChem CID 113247856) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
PubChem CID113247856
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
SMILESCC(=O)Nc1ccc(NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-13(23)20-14-8-10-15(11-9-14)21-16-6-5-7-17(12-16)22-18(24)25-19(2,3)4/h8-11,16-17,21H,5-7,12H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyPTIGMZRZWVYPLN-UHFFFAOYSA-N
XLogP3.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
CID 103720022
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(3-chloro-4-methylanilino)cyclohexyl]carbamate
CID 103719979
tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate
CID 113256330
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[3-[2-(hydroxymethyl)anilino]cyclohexyl]carbamate
CID 103720124
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate (CID 113247856) is tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate is CC(=O)Nc1ccc(NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate?
The InChIKey is PTIGMZRZWVYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(23)20-14-8-10-15(11-9-14)21-16-6-5-7-17(12-16)22-18(24)25-19(2,3)4/h8-11,16-17,21H,5-7,12H2,1-4H3,(H,20,23)(H,22,24).
What are the key properties of tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate?
tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate is sourced from PubChem (CID 113247856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).