(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide

C25H51N3O2 — CID 129308152

IUPAC(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide
SMILESCCCCCCCCCCCCN[C@@H](CCC(N)=O)C(=O)N(CCCC)CCCC
InChIInChI=1S/C25H51N3O2/c1-4-7-10-11-12-13-14-15-16-17-20-27-23(18-19-24(26)29)25(30)28(21-8-5-2)22-9-6-3/h23,27H,4-22H2,1-3H3,(H2,26,29)/t23-/m0/s1
InChIKeyRHGSJLVNXWSOFP-QHCPKHFHSA-N
MW425.70 g/mol
LogP5.56
Rot. Bonds22

About (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide

(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide (PubChem CID 129308152) has the molecular formula C25H51N3O2 and a molecular weight of 425.70 g/mol. Its IUPAC name is (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide.

Molecular Properties

Compound Name(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide
PubChem CID129308152
Molecular FormulaC25H51N3O2
Molecular Weight425.70 g/mol
Exact Mass425.40
IUPAC Name(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide
SMILESCCCCCCCCCCCCN[C@@H](CCC(N)=O)C(=O)N(CCCC)CCCC
InChIInChI=1S/C25H51N3O2/c1-4-7-10-11-12-13-14-15-16-17-20-27-23(18-19-24(26)29)25(30)28(21-8-5-2)22-9-6-3/h23,27H,4-22H2,1-3H3,(H2,26,29)/t23-/m0/s1
InChIKeyRHGSJLVNXWSOFP-QHCPKHFHSA-N
XLogP5.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diheptylamino)-4-(octadecylamino)-5-oxopentanoic acid
CID 174970280
(4S)-5-(dioctylamino)-4-(octylamino)-5-oxopentanoic acid
CID 139816413
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
CID 174954933
2-(tridecylamino)octanamide
CID 154123950
5-(dibutylamino)-5-oxo-4-(prop-2-enylamino)pentanoic acid
CID 175553267
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
N-hexyl-N-pentylhexan-1-amine;2-(octadecylamino)pentanedioic acid
CID 175330066
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide?
The IUPAC name of (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide (CID 129308152) is (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide.
What is the SMILES notation for (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide?
The canonical SMILES for (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide is CCCCCCCCCCCCN[C@@H](CCC(N)=O)C(=O)N(CCCC)CCCC.
What is the InChIKey of (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide?
The InChIKey is RHGSJLVNXWSOFP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H51N3O2/c1-4-7-10-11-12-13-14-15-16-17-20-27-23(18-19-24(26)29)25(30)28(21-8-5-2)22-9-6-3/h23,27H,4-22H2,1-3H3,(H2,26,29)/t23-/m0/s1.
What are the key properties of (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide?
(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide has a molecular weight of 425.70 g/mol, XLogP of 5.56, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide is sourced from PubChem (CID 129308152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).