benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate

C19H24N2O2 — CID 18470878

IUPACbenzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate
SMILESCN(C)CC(CNC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-21(2)14-18(17-11-7-4-8-12-17)13-20-19(22)23-15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3,(H,20,22)
InChIKeyURWKTALIXWMKJM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.26
Rot. Bonds7

About benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate

benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate (PubChem CID 18470878) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate
PubChem CID18470878
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namebenzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate
SMILESCN(C)CC(CNC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-21(2)14-18(17-11-7-4-8-12-17)13-20-19(22)23-15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3,(H,20,22)
InChIKeyURWKTALIXWMKJM-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
(2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 11747521
methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 11312025
benzyl N-(3-acetyl-4-oxo-2-phenylpentyl)carbamate
CID 102285138
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate
CID 172915842
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[(2S)-1-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 39958717
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate?
The IUPAC name of benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate (CID 18470878) is benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate?
The canonical SMILES for benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate is CN(C)CC(CNC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate?
The InChIKey is URWKTALIXWMKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(2)14-18(17-11-7-4-8-12-17)13-20-19(22)23-15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3,(H,20,22).
What are the key properties of benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate?
benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate is sourced from PubChem (CID 18470878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).