[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate

C14H20N2O3 — CID 156509255

IUPAC[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate
SMILESCN(C)CCN(C)C(=O)c1ccc(COC=O)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)8-9-16(3)14(18)13-6-4-12(5-7-13)10-19-11-17/h4-7,11H,8-10H2,1-3H3
InChIKeyXKPUVBBRYYHVSQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds7

About [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate

[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate (PubChem CID 156509255) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate
PubChem CID156509255
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate
SMILESCN(C)CCN(C)C(=O)c1ccc(COC=O)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)8-9-16(3)14(18)13-6-4-12(5-7-13)10-19-11-17/h4-7,11H,8-10H2,1-3H3
InChIKeyXKPUVBBRYYHVSQ-UHFFFAOYSA-N
XLogP0.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
4-formyl-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530389
3-[2-(dimethylamino)ethyl-methylcarbamoyl]-5-methoxybenzoic acid;formic acid
CID 154905672
3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
CID 60989210
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
CID 43409765
sodium;hydride;(4-hydroxyphenyl)methyl formate
CID 173269022
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate?
The IUPAC name of [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate (CID 156509255) is [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate?
The canonical SMILES for [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate is CN(C)CCN(C)C(=O)c1ccc(COC=O)cc1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate?
The InChIKey is XKPUVBBRYYHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)8-9-16(3)14(18)13-6-4-12(5-7-13)10-19-11-17/h4-7,11H,8-10H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate?
[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate has a molecular weight of 264.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]methyl formate is sourced from PubChem (CID 156509255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).