N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide

C23H39N3O4 — CID 67643355

IUPACN-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCN(C(=O)c1ccc(O)cc1O)C(=O)C(N)N
InChIInChI=1S/C23H39N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26(23(30)21(24)25)22(29)19-15-14-18(27)17-20(19)28/h14-15,17,21,27-28H,2-13,16,24-25H2,1H3
InChIKeyFUTDAXRINIHYIZ-UHFFFAOYSA-N
MW421.58 g/mol
LogP4.01
Rot. Bonds15

About N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide

N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide (PubChem CID 67643355) has the molecular formula C23H39N3O4 and a molecular weight of 421.58 g/mol. Its IUPAC name is N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide.

Molecular Properties

Compound NameN-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide
PubChem CID67643355
Molecular FormulaC23H39N3O4
Molecular Weight421.58 g/mol
Exact Mass421.29
IUPAC NameN-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCN(C(=O)c1ccc(O)cc1O)C(=O)C(N)N
InChIInChI=1S/C23H39N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26(23(30)21(24)25)22(29)19-15-14-18(27)17-20(19)28/h14-15,17,21,27-28H,2-13,16,24-25H2,1H3
InChIKeyFUTDAXRINIHYIZ-UHFFFAOYSA-N
XLogP4.01
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide?
The IUPAC name of N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide (CID 67643355) is N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide.
What is the SMILES notation for N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide?
The canonical SMILES for N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide is CCCCCCCCCCCCCCN(C(=O)c1ccc(O)cc1O)C(=O)C(N)N.
What is the InChIKey of N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide?
The InChIKey is FUTDAXRINIHYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26(23(30)21(24)25)22(29)19-15-14-18(27)17-20(19)28/h14-15,17,21,27-28H,2-13,16,24-25H2,1H3.
What are the key properties of N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide?
N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide has a molecular weight of 421.58 g/mol, XLogP of 4.01, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diaminoacetyl)-2,4-dihydroxy-N-tetradecylbenzamide is sourced from PubChem (CID 67643355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).