(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide

C19H23ClN2O4 — CID 30376996

IUPAC(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C19H23ClN2O4/c1-11-8-17(25-4)18(26-5)10-14(11)21-12(2)19(23)22-15-9-13(20)6-7-16(15)24-3/h6-10,12,21H,1-5H3,(H,22,23)/t12-/m0/s1
InChIKeyWVOUQSDGNPKMFQ-LBPRGKRZSA-N
MW378.86 g/mol
LogP4.11
Rot. Bonds7

About (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide (PubChem CID 30376996) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
PubChem CID30376996
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cc(OC)c(OC)cc1C
InChIInChI=1S/C19H23ClN2O4/c1-11-8-17(25-4)18(26-5)10-14(11)21-12(2)19(23)22-15-9-13(20)6-7-16(15)24-3/h6-10,12,21H,1-5H3,(H,22,23)/t12-/m0/s1
InChIKeyWVOUQSDGNPKMFQ-LBPRGKRZSA-N
XLogP4.11
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 51168758
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17403822
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 25355176
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide (CID 30376996) is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide is COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cc(OC)c(OC)cc1C.
What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide?
The InChIKey is WVOUQSDGNPKMFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-11-8-17(25-4)18(26-5)10-14(11)21-12(2)19(23)22-15-9-13(20)6-7-16(15)24-3/h6-10,12,21H,1-5H3,(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide?
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide has a molecular weight of 378.86 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide is sourced from PubChem (CID 30376996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).