CID 59411891

C19H30N3O2S — CID 59411891

IUPAC—
SMILESCCN(CCCNC(=O)CSC[CH]C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C19H30N3O2S/c1-4-22(17-9-6-5-7-10-17)13-8-12-20-19(24)15-25-14-11-18(23)21-16(2)3/h5-7,9-11,16H,4,8,12-15H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyDWYBYMRIQNPGLV-UHFFFAOYSA-N
MW364.54 g/mol
LogP2.48
Rot. Bonds12

About CID 59411891

CID 59411891 (PubChem CID 59411891) has the molecular formula C19H30N3O2S and a molecular weight of 364.54 g/mol.

Molecular Properties

Compound NameCID 59411891
PubChem CID59411891
Molecular FormulaC19H30N3O2S
Molecular Weight364.54 g/mol
Exact Mass364.21
IUPAC Name—
SMILESCCN(CCCNC(=O)CSC[CH]C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C19H30N3O2S/c1-4-22(17-9-6-5-7-10-17)13-8-12-20-19(24)15-25-14-11-18(23)21-16(2)3/h5-7,9-11,16H,4,8,12-15H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyDWYBYMRIQNPGLV-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55520263
3-(N-ethylanilino)propylurea
CID 112708177
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
CID 59411884
CID 59411884
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
CID 79473705
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937

Frequently Asked Questions

What is the IUPAC name of CID 59411891?
The IUPAC name of CID 59411891 (CID 59411891) is not available.
What is the SMILES notation for CID 59411891?
The canonical SMILES for CID 59411891 is CCN(CCCNC(=O)CSC[CH]C(=O)NC(C)C)c1ccccc1.
What is the InChIKey of CID 59411891?
The InChIKey is DWYBYMRIQNPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N3O2S/c1-4-22(17-9-6-5-7-10-17)13-8-12-20-19(24)15-25-14-11-18(23)21-16(2)3/h5-7,9-11,16H,4,8,12-15H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of CID 59411891?
CID 59411891 has a molecular weight of 364.54 g/mol, XLogP of 2.48, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59411891 is sourced from PubChem (CID 59411891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).