benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate

C18H22N2O3 — CID 10380925

IUPACbenzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
SMILESO=C(NC(CO)CNCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-17(12-19-11-15-7-3-1-4-8-15)20-18(22)23-14-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyUFFYZVUXJREFPQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.06
Rot. Bonds8

About benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate

benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate (PubChem CID 10380925) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
PubChem CID10380925
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namebenzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
SMILESO=C(NC(CO)CNCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-17(12-19-11-15-7-3-1-4-8-15)20-18(22)23-14-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyUFFYZVUXJREFPQ-UHFFFAOYSA-N
XLogP2.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(benzylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 91872599
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
(2S)-5-(benzylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18346614
[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
CID 151722138
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 131859948
benzyl N-[(2R)-1-(4-chlorobutanoylamino)-3-hydroxypropan-2-yl]carbamate
CID 86639450
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 152765825
tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
CID 69440258

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate (CID 10380925) is benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate is O=C(NC(CO)CNCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate?
The InChIKey is UFFYZVUXJREFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-17(12-19-11-15-7-3-1-4-8-15)20-18(22)23-14-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22).
What are the key properties of benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate?
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 10380925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).