benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate

C19H32N2O3 — CID 59693746

IUPACbenzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate
SMILESCCCC[C@@H](CN(CCC)CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H32N2O3/c1-3-5-11-18(15-21(12-4-2)13-14-22)20-19(23)24-16-17-9-7-6-8-10-17/h6-10,18,22H,3-5,11-16H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyIBTLCNFJRXYEDF-SFHVURJKSA-N
MW336.48 g/mol
LogP3.18
Rot. Bonds12

About benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate

benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate (PubChem CID 59693746) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate
PubChem CID59693746
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Namebenzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate
SMILESCCCC[C@@H](CN(CCC)CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H32N2O3/c1-3-5-11-18(15-21(12-4-2)13-14-22)20-19(23)24-16-17-9-7-6-8-10-17/h6-10,18,22H,3-5,11-16H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyIBTLCNFJRXYEDF-SFHVURJKSA-N
XLogP3.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
benzyl N-[2-[2-hydroxyethyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexyl]amino]ethyl]carbamate
CID 122450517
benzyl N-[1-[bis[2-(phenylmethoxycarbonylamino)ethyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate;ethane
CID 144943449
benzyl N-[(3R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 91609031
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-undec-1-en-4-ylcarbamate
CID 10924709
ethyl (5R)-3-oxo-5-(phenylmethoxycarbonylamino)dodecanoate
CID 102081203
(2R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]hexanoic acid
CID 90326409
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
benzyl N-[(3S)-1-hydroxy-5-oxohexan-3-yl]carbamate
CID 59066093
butyl (2S)-6-[bis(2-hydroxypropyl)amino]-2-(phenylmethoxycarbonylamino)hexanoate
CID 118616211
chloromethyl (2S)-2-(phenylmethoxycarbonylamino)hexanoate
CID 171393372

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate (CID 59693746) is benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate is CCCC[C@@H](CN(CCC)CCO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate?
The InChIKey is IBTLCNFJRXYEDF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-3-5-11-18(15-21(12-4-2)13-14-22)20-19(23)24-16-17-9-7-6-8-10-17/h6-10,18,22H,3-5,11-16H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate?
benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 3.18, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[2-hydroxyethyl(propyl)amino]hexan-2-yl]carbamate is sourced from PubChem (CID 59693746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).