N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide

C14H21ClN2O3 — CID 62014016

IUPACN-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O3/c1-10-6-11(15)4-5-13(10)16-14(19)8-17(2)7-12(18)9-20-3/h4-6,12,18H,7-9H2,1-3H3,(H,16,19)
InChIKeyDZOTVOIKPQVIID-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.53
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide

N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide (PubChem CID 62014016) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
PubChem CID62014016
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O3/c1-10-6-11(15)4-5-13(10)16-14(19)8-17(2)7-12(18)9-20-3/h4-6,12,18H,7-9H2,1-3H3,(H,16,19)
InChIKeyDZOTVOIKPQVIID-UHFFFAOYSA-N
XLogP1.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204090
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide (CID 62014016) is N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide is COCC(O)CN(C)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The InChIKey is DZOTVOIKPQVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-10-6-11(15)4-5-13(10)16-14(19)8-17(2)7-12(18)9-20-3/h4-6,12,18H,7-9H2,1-3H3,(H,16,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide has a molecular weight of 300.79 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide is sourced from PubChem (CID 62014016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).