tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate

C19H30N2O5 — CID 58242160

IUPACtert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate
SMILESCC[C@H](CCc1ccc(NC=O)cc1OCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O5/c1-5-15(21-18(24)26-19(2,3)4)8-6-14-7-9-16(20-13-23)12-17(14)25-11-10-22/h7,9,12-13,15,22H,5-6,8,10-11H2,1-4H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyDIVBYPBWGRPYAD-OAHLLOKOSA-N
MW366.46 g/mol
LogP2.86
Rot. Bonds10

About tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate

tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate (PubChem CID 58242160) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate
PubChem CID58242160
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate
SMILESCC[C@H](CCc1ccc(NC=O)cc1OCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O5/c1-5-15(21-18(24)26-19(2,3)4)8-6-14-7-9-16(20-13-23)12-17(14)25-11-10-22/h7,9,12-13,15,22H,5-6,8,10-11H2,1-4H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyDIVBYPBWGRPYAD-OAHLLOKOSA-N
XLogP2.86
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate
CID 58242120
tert-butyl N-[(3R)-1-[2-fluoro-6-(2-hydroxyethoxy)phenyl]pent-1-yn-3-yl]carbamate;tert-butyl N-[(3R)-1-[2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate;tert-butyl N-[(3S)-pent-1-yn-3-yl]carbamate;2-(3-fluoro-2-iodophenoxy)ethanol
CID 160785842
tert-butyl N-(7-hydroxyheptan-3-yl)carbamate
CID 142913941
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[1-(5-decyl-2-formamidophenyl)-3-hydroxypropan-2-yl]carbamate
CID 10788974
tert-butyl N-[(3R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrazol-3-yl]pentan-3-yl]carbamate
CID 166591610
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
ethyl 3-(4-formamidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 168652153
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[(3R)-1-[2-(2-hydroxyethoxy)-6-(trifluoromethyl)phenyl]pent-1-yn-3-yl]carbamate
CID 58242175
tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
CID 144969625
tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate
CID 84730429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate (CID 58242160) is tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate is CC[C@H](CCc1ccc(NC=O)cc1OCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate?
The InChIKey is DIVBYPBWGRPYAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-5-15(21-18(24)26-19(2,3)4)8-6-14-7-9-16(20-13-23)12-17(14)25-11-10-22/h7,9,12-13,15,22H,5-6,8,10-11H2,1-4H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate?
tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 2.86, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate is sourced from PubChem (CID 58242160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).