(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide

C23H49N3O — CID 97046606

IUPAC(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
SMILESCCCCCCCCC[C@H](C)CC(=O)NCCCN(C)CCCCN(C)C
InChIInChI=1S/C23H49N3O/c1-6-7-8-9-10-11-12-16-22(2)21-23(27)24-17-15-20-26(5)19-14-13-18-25(3)4/h22H,6-21H2,1-5H3,(H,24,27)/t22-/m0/s1
InChIKeyRLDPSVAZXJQOAE-QFIPXVFZSA-N
MW383.67 g/mol
LogP4.93
Rot. Bonds19

About (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide

(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide (PubChem CID 97046606) has the molecular formula C23H49N3O and a molecular weight of 383.67 g/mol. Its IUPAC name is (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide.

Molecular Properties

Compound Name(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
PubChem CID97046606
Molecular FormulaC23H49N3O
Molecular Weight383.67 g/mol
Exact Mass383.39
IUPAC Name(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
SMILESCCCCCCCCC[C@H](C)CC(=O)NCCCN(C)CCCCN(C)C
InChIInChI=1S/C23H49N3O/c1-6-7-8-9-10-11-12-16-22(2)21-23(27)24-17-15-20-26(5)19-14-13-18-25(3)4/h22H,6-21H2,1-5H3,(H,24,27)/t22-/m0/s1
InChIKeyRLDPSVAZXJQOAE-QFIPXVFZSA-N
XLogP4.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide?
The IUPAC name of (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide (CID 97046606) is (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide.
What is the SMILES notation for (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide?
The canonical SMILES for (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide is CCCCCCCCC[C@H](C)CC(=O)NCCCN(C)CCCCN(C)C.
What is the InChIKey of (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide?
The InChIKey is RLDPSVAZXJQOAE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H49N3O/c1-6-7-8-9-10-11-12-16-22(2)21-23(27)24-17-15-20-26(5)19-14-13-18-25(3)4/h22H,6-21H2,1-5H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide?
(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide has a molecular weight of 383.67 g/mol, XLogP of 4.93, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide is sourced from PubChem (CID 97046606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).