(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide

C20H25N3O4 — CID 32737082

IUPAC(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-4-21-20(25)23-19(24)14(3)22-15-6-8-17(9-7-15)27-18-12-10-16(11-13-18)26-5-2/h6-14,22H,4-5H2,1-3H3,(H2,21,23,24,25)/t14-/m0/s1
InChIKeyLRJQHUQJJHMFGI-AWEZNQCLSA-N
MW371.44 g/mol
LogP3.52
Rot. Bonds8

About (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide

(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide (PubChem CID 32737082) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
PubChem CID32737082
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-4-21-20(25)23-19(24)14(3)22-15-6-8-17(9-7-15)27-18-12-10-16(11-13-18)26-5-2/h6-14,22H,4-5H2,1-3H3,(H2,21,23,24,25)/t14-/m0/s1
InChIKeyLRJQHUQJJHMFGI-AWEZNQCLSA-N
XLogP3.52
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
CID 41036741
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 82867225
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242371
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide (CID 32737082) is (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@H](C)Nc1ccc(Oc2ccc(OCC)cc2)cc1.
What is the InChIKey of (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is LRJQHUQJJHMFGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-21-20(25)23-19(24)14(3)22-15-6-8-17(9-7-15)27-18-12-10-16(11-13-18)26-5-2/h6-14,22H,4-5H2,1-3H3,(H2,21,23,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide?
(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 371.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 32737082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).