CID 59411874

C18H36N5O3S — CID 59411874

IUPAC—
SMILESCC(C)NC(=O)[CH]CSC(CC(=O)NCCN(C)C)C(=O)NCCN(C)C
InChIInChI=1S/C18H36N5O3S/c1-14(2)21-16(24)7-12-27-15(18(26)20-9-11-23(5)6)13-17(25)19-8-10-22(3)4/h7,14-15H,8-13H2,1-6H3,(H,19,25)(H,20,26)(H,21,24)
InChIKeyLBNYXYRPHSUGMN-UHFFFAOYSA-N
MW402.59 g/mol
LogP-0.44
Rot. Bonds14

About CID 59411874

CID 59411874 (PubChem CID 59411874) has the molecular formula C18H36N5O3S and a molecular weight of 402.59 g/mol.

Molecular Properties

Compound NameCID 59411874
PubChem CID59411874
Molecular FormulaC18H36N5O3S
Molecular Weight402.59 g/mol
Exact Mass402.25
IUPAC Name—
SMILESCC(C)NC(=O)[CH]CSC(CC(=O)NCCN(C)C)C(=O)NCCN(C)C
InChIInChI=1S/C18H36N5O3S/c1-14(2)21-16(24)7-12-27-15(18(26)20-9-11-23(5)6)13-17(25)19-8-10-22(3)4/h7,14-15H,8-13H2,1-6H3,(H,19,25)(H,20,26)(H,21,24)
InChIKeyLBNYXYRPHSUGMN-UHFFFAOYSA-N
XLogP-0.44
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 59411884
CID 59411884
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
3-butyl-N-[2-(dimethylamino)ethyl]octanamide
CID 88999210
N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadecanamide
CID 21297929
N'-ethyl-2-(4-methyl-3-oxopentyl)sulfanyl-N-propan-2-ylbutanediamide
CID 178008010
CID 59411891
CID 59411891
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
CID 169077280
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]propanamide
CID 176618081
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide
CID 112991411

Frequently Asked Questions

What is the IUPAC name of CID 59411874?
The IUPAC name of CID 59411874 (CID 59411874) is not available.
What is the SMILES notation for CID 59411874?
The canonical SMILES for CID 59411874 is CC(C)NC(=O)[CH]CSC(CC(=O)NCCN(C)C)C(=O)NCCN(C)C.
What is the InChIKey of CID 59411874?
The InChIKey is LBNYXYRPHSUGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N5O3S/c1-14(2)21-16(24)7-12-27-15(18(26)20-9-11-23(5)6)13-17(25)19-8-10-22(3)4/h7,14-15H,8-13H2,1-6H3,(H,19,25)(H,20,26)(H,21,24).
What are the key properties of CID 59411874?
CID 59411874 has a molecular weight of 402.59 g/mol, XLogP of -0.44, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59411874 is sourced from PubChem (CID 59411874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).