methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate

C19H24N2O2 — CID 10913976

IUPACmethyl N-[(2S)-2-(dibenzylamino)propyl]carbamate
SMILESCOC(=O)NC[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-16(13-20-19(22)23-2)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPOEHYKVDYJMYAS-INIZCTEOSA-N
MW312.41 g/mol
LogP3.43
Rot. Bonds7

About methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate

methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate (PubChem CID 10913976) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-(dibenzylamino)propyl]carbamate
PubChem CID10913976
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namemethyl N-[(2S)-2-(dibenzylamino)propyl]carbamate
SMILESCOC(=O)NC[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-16(13-20-19(22)23-2)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPOEHYKVDYJMYAS-INIZCTEOSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2S)-2-(dibenzylamino)-3-methylbutyl]carbamate
CID 15781131
3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate
CID 18379207
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate (CID 10913976) is methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate is COC(=O)NC[C@H](C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate?
The InChIKey is POEHYKVDYJMYAS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-16(13-20-19(22)23-2)21(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate?
methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate is sourced from PubChem (CID 10913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).