tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate

C23H36N2O2 — CID 155265703

IUPACtert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
SMILESCCN(CC)CC1(CN(C(=O)OC(C)(C)C)[C@H]2CC2c2ccccc2)CC1
InChIInChI=1S/C23H36N2O2/c1-6-24(7-2)16-23(13-14-23)17-25(21(26)27-22(3,4)5)20-15-19(20)18-11-9-8-10-12-18/h8-12,19-20H,6-7,13-17H2,1-5H3/t19?,20-/m0/s1
InChIKeyYGHRKMSJCDGWRH-ANYOKISRSA-N
MW372.55 g/mol
LogP4.90
Rot. Bonds8

About tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate

tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate (PubChem CID 155265703) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
PubChem CID155265703
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Nametert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
SMILESCCN(CC)CC1(CN(C(=O)OC(C)(C)C)[C@H]2CC2c2ccccc2)CC1
InChIInChI=1S/C23H36N2O2/c1-6-24(7-2)16-23(13-14-23)17-25(21(26)27-22(3,4)5)20-15-19(20)18-11-9-8-10-12-18/h8-12,19-20H,6-7,13-17H2,1-5H3/t19?,20-/m0/s1
InChIKeyYGHRKMSJCDGWRH-ANYOKISRSA-N
XLogP4.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]-3-phenylpropanoic acid
CID 155633155
(3S)-1-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]pyrrolidine-3-carboxylic acid
CID 155633143
ethyl 2-[5-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]acetate
CID 155633138
tert-butyl 3-[[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]methyl]pyrrolidine-1-carboxylate
CID 155266096
2-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylcyclopropyl)amino]methyl]cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 155265773
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486468
tert-butyl N-(azetidin-3-ylmethyl)-N-[(2S)-2-phenylcyclopropyl]carbamate
CID 130199105
tert-butyl N-[(1-formylcyclopropyl)methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[(1S)-2-phenylcyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]carbamate;(1S)-2-phenyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]cyclopropan-1-amine
CID 159521301
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]-N-[(E)-prop-1-enyl]carbamate
CID 134861468
3-[3-[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid
CID 163432644
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
tert-butyl N-[[1-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S,2R)-2-phenylcyclopropyl]carbamate
CID 155633135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate (CID 155265703) is tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate is CCN(CC)CC1(CN(C(=O)OC(C)(C)C)[C@H]2CC2c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
The InChIKey is YGHRKMSJCDGWRH-ANYOKISRSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-6-24(7-2)16-23(13-14-23)17-25(21(26)27-22(3,4)5)20-15-19(20)18-11-9-8-10-12-18/h8-12,19-20H,6-7,13-17H2,1-5H3/t19?,20-/m0/s1.
What are the key properties of tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate has a molecular weight of 372.55 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 155265703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).