(2S)-2,4-diamino-N-tetradecylbutanamide

C18H39N3O — CID 127038932

IUPAC(2S)-2,4-diamino-N-tetradecylbutanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCN
InChIInChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-18(22)17(20)14-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyQZGKAIDLGNZEGE-KRWDZBQOSA-N
MW313.53 g/mol
LogP3.48
Rot. Bonds16

About (2S)-2,4-diamino-N-tetradecylbutanamide

(2S)-2,4-diamino-N-tetradecylbutanamide (PubChem CID 127038932) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is (2S)-2,4-diamino-N-tetradecylbutanamide.

Molecular Properties

Compound Name(2S)-2,4-diamino-N-tetradecylbutanamide
PubChem CID127038932
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC Name(2S)-2,4-diamino-N-tetradecylbutanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCN
InChIInChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-18(22)17(20)14-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyQZGKAIDLGNZEGE-KRWDZBQOSA-N
XLogP3.48
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 10144565
(S)-N-(5-Amino-6-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-6-oxohexyl)palmitamide
CID 9916009
N-Lauroyl-L-glutamic acid di-n-butylamide
CID 113401
Lycetamine
CID 10595298
Hexanamide, 2,6-diamino-N-dodecyl-, (S)-
CID 10805166
6-Amino-2-(dodecylamino)hexanamide
CID 44352589
Myristamide, N-(2-aminoethyl)-
CID 3046196
Ori-1202
CID 9905576
(2S)-2,6-diamino-N-tetradecylhexanamide
CID 10664966
(2R)-2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 44572159
3-Amino-azacyclotridecan-2-one
CID 446676
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-diamino-N-tetradecylbutanamide?
The IUPAC name of (2S)-2,4-diamino-N-tetradecylbutanamide (CID 127038932) is (2S)-2,4-diamino-N-tetradecylbutanamide.
What is the SMILES notation for (2S)-2,4-diamino-N-tetradecylbutanamide?
The canonical SMILES for (2S)-2,4-diamino-N-tetradecylbutanamide is CCCCCCCCCCCCCCNC(=O)[C@@H](N)CCN.
What is the InChIKey of (2S)-2,4-diamino-N-tetradecylbutanamide?
The InChIKey is QZGKAIDLGNZEGE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-18(22)17(20)14-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2,4-diamino-N-tetradecylbutanamide?
(2S)-2,4-diamino-N-tetradecylbutanamide has a molecular weight of 313.53 g/mol, XLogP of 3.48, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-diamino-N-tetradecylbutanamide is sourced from PubChem (CID 127038932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).