N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide

C15H21ClN2O2 — CID 97072287

IUPACN-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide
SMILESCc1ccc(NC(=O)CCN[C@@H]2CCO[C@H]2C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-3-4-14(12(16)9-10)18-15(19)5-7-17-13-6-8-20-11(13)2/h3-4,9,11,13,17H,5-8H2,1-2H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyOONBXFUBVRSSGW-WCQYABFASA-N
MW296.80 g/mol
LogP2.74
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide

N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide (PubChem CID 97072287) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide
PubChem CID97072287
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide
SMILESCc1ccc(NC(=O)CCN[C@@H]2CCO[C@H]2C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-3-4-14(12(16)9-10)18-15(19)5-7-17-13-6-8-20-11(13)2/h3-4,9,11,13,17H,5-8H2,1-2H3,(H,18,19)/t11-,13+/m0/s1
InChIKeyOONBXFUBVRSSGW-WCQYABFASA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725585
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 119317102
N-(2-chloro-4-methylphenyl)-3-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111869186
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
N-methyl-3-[(2-methyloxolan-3-yl)amino]propanamide
CID 115336497
N-(2-chloro-4-methylphenyl)-3-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]propanamide
CID 111408657
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
N-(2-chloro-4-methylphenyl)-3-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111408656
4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
CID 7926606
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide (CID 97072287) is N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide is Cc1ccc(NC(=O)CCN[C@@H]2CCO[C@H]2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide?
The InChIKey is OONBXFUBVRSSGW-WCQYABFASA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-3-4-14(12(16)9-10)18-15(19)5-7-17-13-6-8-20-11(13)2/h3-4,9,11,13,17H,5-8H2,1-2H3,(H,18,19)/t11-,13+/m0/s1.
What are the key properties of N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide?
N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide is sourced from PubChem (CID 97072287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).