tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate

C16H29NO4 — CID 90205005

IUPACtert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC=O)C1CCC(CCO)CC1
InChIInChI=1S/C16H29NO4/c1-16(2,3)21-15(20)17(10-4-11-18)14-7-5-13(6-8-14)9-12-19/h11,13-14,19H,4-10,12H2,1-3H3
InChIKeyRJWVHLZQRFEEPF-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.75
Rot. Bonds6

About tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate

tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate (PubChem CID 90205005) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate
PubChem CID90205005
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC=O)C1CCC(CCO)CC1
InChIInChI=1S/C16H29NO4/c1-16(2,3)21-15(20)17(10-4-11-18)14-7-5-13(6-8-14)9-12-19/h11,13-14,19H,4-10,12H2,1-3H3
InChIKeyRJWVHLZQRFEEPF-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
CID 90205224
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl N-cyclopropyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722275
tert-butyl N-cyclopropyl-N-[2-(2,2-dimethoxyethylamino)ethyl]carbamate
CID 107246428
tert-butyl N-cyclopropyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
CID 107246302

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate?
The IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate (CID 90205005) is tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate?
The canonical SMILES for tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate is CC(C)(C)OC(=O)N(CCC=O)C1CCC(CCO)CC1.
What is the InChIKey of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate?
The InChIKey is RJWVHLZQRFEEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-16(2,3)21-15(20)17(10-4-11-18)14-7-5-13(6-8-14)9-12-19/h11,13-14,19H,4-10,12H2,1-3H3.
What are the key properties of tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate?
tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate has a molecular weight of 299.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate is sourced from PubChem (CID 90205005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).