N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide

C19H22N2O2 — CID 167985383

IUPACN-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O2/c1-21(2)19(12-13-19)14-20-18(22)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyWCSONEAZMXRCDG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide

N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide (PubChem CID 167985383) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
PubChem CID167985383
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2O2/c1-21(2)19(12-13-19)14-20-18(22)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyWCSONEAZMXRCDG-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
CID 4781249
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
tert-butyl-[3-[(4-phenoxybenzoyl)amino]propyl]azanium
CID 9089830
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
N-[[4-benzyl-1-(dimethylamino)cyclohexyl]methyl]-3,4-dichlorobenzamide
CID 13052047

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide (CID 167985383) is N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide is CN(C)C1(CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide?
The InChIKey is WCSONEAZMXRCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(2)19(12-13-19)14-20-18(22)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide?
N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide is sourced from PubChem (CID 167985383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).