tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate

C21H32N2O4 — CID 90889208

IUPACtert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate
SMILESCC(C)C1CC(Oc2ccccc2)CC(C(=O)NNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H32N2O4/c1-14(2)15-11-16(19(24)22-23-20(25)27-21(3,4)5)13-18(12-15)26-17-9-7-6-8-10-17/h6-10,14-16,18H,11-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyCAHBCBYSFRHXKT-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.06
Rot. Bonds4

About tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate

tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate (PubChem CID 90889208) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate
PubChem CID90889208
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Nametert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate
SMILESCC(C)C1CC(Oc2ccccc2)CC(C(=O)NNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H32N2O4/c1-14(2)15-11-16(19(24)22-23-20(25)27-21(3,4)5)13-18(12-15)26-17-9-7-6-8-10-17/h6-10,14-16,18H,11-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyCAHBCBYSFRHXKT-UHFFFAOYSA-N
XLogP4.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 160603603
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tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(3-phenylmethoxycyclobutyl)oxyphenyl]propanoic acid
CID 123357266
tert-butyl N-[(1S,2R,3S,4S)-3-hydroxy-4-phenoxy-2-pyrrolidin-1-ylcyclopentyl]carbamate
CID 110157706
tert-butyl N-[(1S,3S)-3-[[(2-phenylacetyl)amino]carbamoyl]cyclopentyl]carbamate
CID 59028706
tert-butyl N-(1-phenylethenylamino)carbamate
CID 2692506
tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
CID 103719611
tert-butyl N-[(1R,2S,3R,4R)-3-hydroxy-2-(methylamino)-4-phenoxycyclopentyl]carbamate
CID 110152916
tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate
CID 107237136
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate (CID 90889208) is tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate is CC(C)C1CC(Oc2ccccc2)CC(C(=O)NNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate?
The InChIKey is CAHBCBYSFRHXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-14(2)15-11-16(19(24)22-23-20(25)27-21(3,4)5)13-18(12-15)26-17-9-7-6-8-10-17/h6-10,14-16,18H,11-13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate?
tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate has a molecular weight of 376.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate is sourced from PubChem (CID 90889208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).