3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide

C20H31N3O4 — CID 84566567

IUPAC3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NCCOCCO)C2CC2)c1
InChIInChI=1S/C20H31N3O4/c1-15-3-4-16(2)18(13-15)22-20(26)14-23(17-5-6-17)9-7-19(25)21-8-11-27-12-10-24/h3-4,13,17,24H,5-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPOOBDGDNALJNRY-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.22
Rot. Bonds12

About 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide (PubChem CID 84566567) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
PubChem CID84566567
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)NCCOCCO)C2CC2)c1
InChIInChI=1S/C20H31N3O4/c1-15-3-4-16(2)18(13-15)22-20(26)14-23(17-5-6-17)9-7-19(25)21-8-11-27-12-10-24/h3-4,13,17,24H,5-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPOOBDGDNALJNRY-UHFFFAOYSA-N
XLogP1.22
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 84566577
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566542
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,3-dimethylphenyl)propanamide
CID 84567732
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 84566538
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-morpholin-4-ylpropyl)propanamide
CID 84566540
2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
methyl 3-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzoate
CID 84568156
5-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzene-1,3-dicarboxylic acid
CID 84567726
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide (CID 84566567) is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)NCCOCCO)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The InChIKey is POOBDGDNALJNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-15-3-4-16(2)18(13-15)22-20(26)14-23(17-5-6-17)9-7-19(25)21-8-11-27-12-10-24/h3-4,13,17,24H,5-12,14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 1.22, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[2-(2-hydroxyethoxy)ethyl]propanamide is sourced from PubChem (CID 84566567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).