benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate

C19H22N2O5 — CID 75311265

IUPACbenzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate
SMILESCC(CO)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-15(12-22)21(19(24)26-14-17-10-6-3-7-11-17)20-18(23)25-13-16-8-4-2-5-9-16/h2-11,15,22H,12-14H2,1H3,(H,20,23)
InChIKeyIOQHKIVNNDIZGJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.85
Rot. Bonds6

About benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate

benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate (PubChem CID 75311265) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate
PubChem CID75311265
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namebenzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate
SMILESCC(CO)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-15(12-22)21(19(24)26-14-17-10-6-3-7-11-17)20-18(23)25-13-16-8-4-2-5-9-16/h2-11,15,22H,12-14H2,1H3,(H,20,23)
InChIKeyIOQHKIVNNDIZGJ-UHFFFAOYSA-N
XLogP2.85
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-carbobenzoxy-L-phenylalanilol
CID 853481
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate
CID 736170
Dibenzyl 1-methyl-1,2-hydrazinedicarboxylate
CID 255687
benzyl N-[(2R)-1-hydroxybutan-2-yl]carbamate
CID 11020511
benzyl N-[(2S)-1-oxo-1-[2-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]hydrazinyl]propan-2-yl]carbamate
CID 16745953
benzyl N-(1-hydroxypentan-2-yl)carbamate
CID 15680933
Benzyl ((2R)-1-hydroxypropan-2-yl)carbamate
CID 6951254
N-(Benzyloxycarbonyl)-N-(benzyloxycarboxamido)glycine ethyl ester
CID 4641875
benzyl N-(2-cyanoethyl)-N-(phenylmethoxycarbonylamino)carbamate
CID 267523

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate?
The IUPAC name of benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate (CID 75311265) is benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate.
What is the SMILES notation for benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate?
The canonical SMILES for benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate is CC(CO)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate?
The InChIKey is IOQHKIVNNDIZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-15(12-22)21(19(24)26-14-17-10-6-3-7-11-17)20-18(23)25-13-16-8-4-2-5-9-16/h2-11,15,22H,12-14H2,1H3,(H,20,23).
What are the key properties of benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate?
benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate has a molecular weight of 358.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-hydroxypropan-2-yl)-N-(phenylmethoxycarbonylamino)carbamate is sourced from PubChem (CID 75311265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).