[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate

C17H25NO2 — CID 154718412

IUPAC[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC(c1ccccc1)C1CC1)C(C)C
InChIInChI=1S/C17H25NO2/c1-12(2)18(13(3)4)17(19)20-16(15-10-11-15)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3
InChIKeyNYHDXWMJNMQWOO-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.39
Rot. Bonds5

About [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate

[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate (PubChem CID 154718412) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate
PubChem CID154718412
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC(c1ccccc1)C1CC1)C(C)C
InChIInChI=1S/C17H25NO2/c1-12(2)18(13(3)4)17(19)20-16(15-10-11-15)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3
InChIKeyNYHDXWMJNMQWOO-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[cyclopropyl-(4-phenylphenyl)methyl] acetate
CID 540182
[(E)-1-phenylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 102052023
[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
CID 102588636
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
CID 175222339
O-[cyclopropyl(phenyl)methyl]hydroxylamine;hydrochloride
CID 127038891
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 15423381
1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate
CID 12070578
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate (CID 154718412) is [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC(c1ccccc1)C1CC1)C(C)C.
What is the InChIKey of [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is NYHDXWMJNMQWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)18(13(3)4)17(19)20-16(15-10-11-15)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3.
What are the key properties of [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate?
[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 154718412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).