phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate

C18H20N2O4 — CID 126009593

IUPACphenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)Oc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-12-9-10-16(23-3)15(11-12)20-17(21)13(2)19-18(22)24-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyQMNKHXAULLOHAM-ZDUSSCGKSA-N
MW328.37 g/mol
LogP3.12
Rot. Bonds5

About phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate

phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate (PubChem CID 126009593) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
PubChem CID126009593
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namephenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)Oc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-12-9-10-16(23-3)15(11-12)20-17(21)13(2)19-18(22)24-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyQMNKHXAULLOHAM-ZDUSSCGKSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[(2R)-4-amino-1-(2-methoxy-5-methylanilino)-1,4-dioxobutan-2-yl]carbamate
CID 126008822
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799840
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenoxyanilino)propanamide
CID 40799845
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
phenyl N-[(2S)-1-(2-bromo-4,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 126004298
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126005434
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate (CID 126009593) is phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate is COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate?
The InChIKey is QMNKHXAULLOHAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-9-10-16(23-3)15(11-12)20-17(21)13(2)19-18(22)24-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate?
phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 126009593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).