[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate

C19H24N2O3 — CID 25050115

IUPAC[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate
SMILESCNC(CCOc1ccccc1)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-20-18(13-14-23-16-7-5-4-6-8-16)15-9-11-17(12-10-15)24-19(22)21(2)3/h4-12,18,20H,13-14H2,1-3H3
InChIKeyBBIIYSBRPZCSRX-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.48
Rot. Bonds7

About [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate

[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate (PubChem CID 25050115) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate
PubChem CID25050115
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate
SMILESCNC(CCOc1ccccc1)c1ccc(OC(=O)N(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-20-18(13-14-23-16-7-5-4-6-8-16)15-9-11-17(12-10-15)24-19(22)21(2)3/h4-12,18,20H,13-14H2,1-3H3
InChIKeyBBIIYSBRPZCSRX-UHFFFAOYSA-N
XLogP3.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1R)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68818703
[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate
CID 68819436
[4-[(1R)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68822128
[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68819435
[3-[(1S)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate
CID 68818905
[4-[1-(methylamino)-3-[(2-nitro-4-pyridinyl)oxy]propyl]phenyl] N,N-dimethylcarbamate
CID 25050119
[4-[(1R)-1-(methylamino)-3-(4-methylphenyl)sulfanylpropyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 139959807
[2-methyl-4-[(1R)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68818934
[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid
CID 68821193
[4-[3-(N-acetyl-3-fluoroanilino)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate
CID 139959789
[3-[3-(4-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90820092
[(1S)-1-[4-(dimethylcarbamoyloxy)phenyl]-3-(4-nitrophenoxy)propyl]-methylazanium chloride
CID 11004123

Frequently Asked Questions

What is the IUPAC name of [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate (CID 25050115) is [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate is CNC(CCOc1ccccc1)c1ccc(OC(=O)N(C)C)cc1.
What is the InChIKey of [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is BBIIYSBRPZCSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-18(13-14-23-16-7-5-4-6-8-16)15-9-11-17(12-10-15)24-19(22)21(2)3/h4-12,18,20H,13-14H2,1-3H3.
What are the key properties of [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate?
[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 328.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 25050115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).