(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate

C19H22ClN3O3 — CID 171824737

IUPAC(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate
SMILESCNC(=O)CN(C)Cc1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-21-18(24)12-23(2)11-14-5-9-17(10-6-14)22-19(25)26-13-15-3-7-16(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOYIQGBSYVKQQRR-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.27
Rot. Bonds7

About (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate (PubChem CID 171824737) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate
PubChem CID171824737
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate
SMILESCNC(=O)CN(C)Cc1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-21-18(24)12-23(2)11-14-5-9-17(10-6-14)22-19(25)26-13-15-3-7-16(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOYIQGBSYVKQQRR-UHFFFAOYSA-N
XLogP3.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
(1-methylpyridin-1-ium-4-yl)methyl N-(4-chlorophenyl)carbamate iodide
CID 163342725
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
(4-chlorophenyl)methyl N-[4-[[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824417
(4-chlorophenyl)methyl N-[4-[[methyl-(6-methylpyridine-3-carbonyl)amino]methyl]phenyl]carbamate
CID 171824839
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
(4-chlorophenyl)methyl N-[4-[[methyl-(2-propan-2-ylpyrazole-3-carbonyl)amino]methyl]phenyl]carbamate
CID 171824706
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 87013292

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate (CID 171824737) is (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate is CNC(=O)CN(C)Cc1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate?
The InChIKey is OYIQGBSYVKQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-21-18(24)12-23(2)11-14-5-9-17(10-6-14)22-19(25)26-13-15-3-7-16(20)8-4-15/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate has a molecular weight of 375.86 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 171824737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).