(2R)-2,3-diamino-N-tetradecylpropanamide

C17H37N3O — CID 146301991

IUPAC(2R)-2,3-diamino-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H](N)CN
InChIInChI=1S/C17H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17(21)16(19)15-18/h16H,2-15,18-19H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyVXHFOTRUCBWGKA-MRXNPFEDSA-N
MW299.50 g/mol
LogP3.09
Rot. Bonds15

About (2R)-2,3-diamino-N-tetradecylpropanamide

(2R)-2,3-diamino-N-tetradecylpropanamide (PubChem CID 146301991) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is (2R)-2,3-diamino-N-tetradecylpropanamide.

Molecular Properties

Compound Name(2R)-2,3-diamino-N-tetradecylpropanamide
PubChem CID146301991
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name(2R)-2,3-diamino-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H](N)CN
InChIInChI=1S/C17H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17(21)16(19)15-18/h16H,2-15,18-19H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyVXHFOTRUCBWGKA-MRXNPFEDSA-N
XLogP3.09
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-diamino-N-tetradecylpropanamide?
The IUPAC name of (2R)-2,3-diamino-N-tetradecylpropanamide (CID 146301991) is (2R)-2,3-diamino-N-tetradecylpropanamide.
What is the SMILES notation for (2R)-2,3-diamino-N-tetradecylpropanamide?
The canonical SMILES for (2R)-2,3-diamino-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)[C@H](N)CN.
What is the InChIKey of (2R)-2,3-diamino-N-tetradecylpropanamide?
The InChIKey is VXHFOTRUCBWGKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17(21)16(19)15-18/h16H,2-15,18-19H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2,3-diamino-N-tetradecylpropanamide?
(2R)-2,3-diamino-N-tetradecylpropanamide has a molecular weight of 299.50 g/mol, XLogP of 3.09, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-diamino-N-tetradecylpropanamide is sourced from PubChem (CID 146301991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).