N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide

C14H21ClN2O2 — CID 115573461

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
SMILESCCN(CCCO)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H21ClN2O2/c1-3-17(7-4-8-18)10-14(19)16-13-9-12(15)6-5-11(13)2/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyBNSNELASPCGCTC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.29
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide (PubChem CID 115573461) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
PubChem CID115573461
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
SMILESCCN(CCCO)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H21ClN2O2/c1-3-17(7-4-8-18)10-14(19)16-13-9-12(15)6-5-11(13)2/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyBNSNELASPCGCTC-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 115674927
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565572

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide (CID 115573461) is N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide is CCN(CCCO)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
The InChIKey is BNSNELASPCGCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-17(7-4-8-18)10-14(19)16-13-9-12(15)6-5-11(13)2/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide has a molecular weight of 284.79 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 115573461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).