trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide

C23H45NO5 — CID 42602888

IUPACtrans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C1(O)C[C@@H](O)C(O)[C@H](O)C1
InChIInChI=1S/C23H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-22(28)23(29)17-19(25)21(27)20(26)18-23/h19-21,25-27,29H,2-18H2,1H3,(H,24,28)/t19-,20-,21?,23?/m1/s1
InChIKeyVQEGDPVFONPAST-YUTDQEIESA-N
MW415.62 g/mol
LogP3.19
Rot. Bonds16

About trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide

trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide (PubChem CID 42602888) has the molecular formula C23H45NO5 and a molecular weight of 415.62 g/mol. Its IUPAC name is trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide
PubChem CID42602888
Molecular FormulaC23H45NO5
Molecular Weight415.62 g/mol
Exact Mass415.33
IUPAC Nametrans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C1(O)C[C@@H](O)C(O)[C@H](O)C1
InChIInChI=1S/C23H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-22(28)23(29)17-19(25)21(27)20(26)18-23/h19-21,25-27,29H,2-18H2,1H3,(H,24,28)/t19-,20-,21?,23?/m1/s1
InChIKeyVQEGDPVFONPAST-YUTDQEIESA-N
XLogP3.19
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 53.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide 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

dihexadecyl-methyl-[2-[[(3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarbonyl]amino]ethyl]azanium chloride
CID 46180402
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
N,N'-diheptyloxamide
CID 3417538
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-undecylcyclohexane-1-carboxamide
CID 3271293
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534
1-butyl-3-octylurea
CID 17269600
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129

Frequently Asked Questions

What is the IUPAC name of trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide?
The IUPAC name of trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide (CID 42602888) is trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide.
What is the SMILES notation for trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide?
The canonical SMILES for trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide is CCCCCCCCCCCCCCCCNC(=O)C1(O)C[C@@H](O)C(O)[C@H](O)C1.
What is the InChIKey of trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide?
The InChIKey is VQEGDPVFONPAST-YUTDQEIESA-N. The full InChI is InChI=1S/C23H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-22(28)23(29)17-19(25)21(27)20(26)18-23/h19-21,25-27,29H,2-18H2,1H3,(H,24,28)/t19-,20-,21?,23?/m1/s1.
What are the key properties of trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide?
trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide has a molecular weight of 415.62 g/mol, XLogP of 3.19, 16 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,5R)-N-hexadecyl-1,3,4,5-tetrahydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 42602888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).