benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate

C19H30N2O3 — CID 96553870

IUPACbenzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C19H30N2O3/c1-15(2)21(18-11-7-6-10-17(18)20-12-13-22)19(23)24-14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,20,22H,6-7,10-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyQAYHTOMTVWMTRT-ROUUACIJSA-N
MW334.46 g/mol
LogP2.93
Rot. Bonds7

About benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate

benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate (PubChem CID 96553870) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
PubChem CID96553870
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Namebenzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C19H30N2O3/c1-15(2)21(18-11-7-6-10-17(18)20-12-13-22)19(23)24-14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,20,22H,6-7,10-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyQAYHTOMTVWMTRT-ROUUACIJSA-N
XLogP2.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
CID 96553859
benzyl N-[(1S,2R)-2-[(2-chloroacetyl)-propan-2-ylamino]cyclohexyl]carbamate
CID 96552577
2-[[(1R,2R)-2-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]amino]acetic acid
CID 96554081
benzyl N-ethyl-N-[2-(methylamino)cyclohexyl]carbamate
CID 66569376
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566633
2-[(3S)-3-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66566908
2-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclohexyl]-propan-2-ylamino]acetic acid
CID 124859504
benzyl N-[1-(2-aminopropanoyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
CID 77144068
benzyl N-[(1R,2R)-2-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
CID 124746821
2-[[2-[benzyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 66567293
(2R)-2-(1-hydroxyethyl)-5-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 67548429

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate?
The IUPAC name of benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate (CID 96553870) is benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate?
The canonical SMILES for benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate is CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO.
What is the InChIKey of benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate?
The InChIKey is QAYHTOMTVWMTRT-ROUUACIJSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)21(18-11-7-6-10-17(18)20-12-13-22)19(23)24-14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,20,22H,6-7,10-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate?
benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate has a molecular weight of 334.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 96553870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).