(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide

C17H26N4O4 — CID 8594468

IUPAC(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CN(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H26N4O4/c1-5-18-17(24)12(2)19-15(22)10-21(3)11-16(23)20-13-7-6-8-14(9-13)25-4/h6-9,12H,5,10-11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyHIMXCPPSBYAOEP-LBPRGKRZSA-N
MW350.42 g/mol
LogP0.21
Rot. Bonds9

About (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide

(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide (PubChem CID 8594468) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide
PubChem CID8594468
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CN(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H26N4O4/c1-5-18-17(24)12(2)19-15(22)10-21(3)11-16(23)20-13-7-6-8-14(9-13)25-4/h6-9,12H,5,10-11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyHIMXCPPSBYAOEP-LBPRGKRZSA-N
XLogP0.21
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide with MolForge

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Related Compounds

2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556475
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]acetamide
CID 43021698
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8555813
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8594560
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide (CID 8594468) is (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide is CCNC(=O)[C@H](C)NC(=O)CN(C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide?
The InChIKey is HIMXCPPSBYAOEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-5-18-17(24)12(2)19-15(22)10-21(3)11-16(23)20-13-7-6-8-14(9-13)25-4/h6-9,12H,5,10-11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide?
(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide has a molecular weight of 350.42 g/mol, XLogP of 0.21, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide is sourced from PubChem (CID 8594468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).