N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide

C16H25NO4 — CID 23549389

IUPACN,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide
SMILESCCCc1cc(C(=O)N(O)C(C)C)c(O)c(CCC)c1O
InChIInChI=1S/C16H25NO4/c1-5-7-11-9-13(16(20)17(21)10(3)4)15(19)12(8-6-2)14(11)18/h9-10,18-19,21H,5-8H2,1-4H3
InChIKeyCZCWZKLERCNPQD-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.24
Rot. Bonds6

About N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide

N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide (PubChem CID 23549389) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide.

Molecular Properties

Compound NameN,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide
PubChem CID23549389
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide
SMILESCCCc1cc(C(=O)N(O)C(C)C)c(O)c(CCC)c1O
InChIInChI=1S/C16H25NO4/c1-5-7-11-9-13(16(20)17(21)10(3)4)15(19)12(8-6-2)14(11)18/h9-10,18-19,21H,5-8H2,1-4H3
InChIKeyCZCWZKLERCNPQD-UHFFFAOYSA-N
XLogP3.24
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
4-[1-(4-hydroxy-3,5-dipropylphenyl)ethyl]-2,6-dipropylphenol
CID 68581475
2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone
CID 170896236
4-ethyl-2,6-dipropylphenol
CID 66879596
1-(4-hydroxy-3,5-dipropylphenyl)propan-1-one
CID 11310872
2-ethyl-4-methyl-6-propylphenol
CID 66879780
(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 23109188
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
3,4,5-trihydroxy-2-propylbenzenecarboperoxoic acid
CID 174626963
6-hydroxy-7-propyl-1,3-benzodioxole-5-carboxylic acid
CID 91665036
methyl 5-[3,5-bis(4-hydroxy-3-methoxycarbonyl-5-propylphenyl)phenyl]-2-hydroxy-3-propylbenzoate
CID 14925170
(3,4,5-trihydroxyphenyl)-(2,3,4-trihydroxy-5-propylphenyl)methanone
CID 19910474

Frequently Asked Questions

What is the IUPAC name of N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide?
The IUPAC name of N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide (CID 23549389) is N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide.
What is the SMILES notation for N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide?
The canonical SMILES for N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide is CCCc1cc(C(=O)N(O)C(C)C)c(O)c(CCC)c1O.
What is the InChIKey of N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide?
The InChIKey is CZCWZKLERCNPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-7-11-9-13(16(20)17(21)10(3)4)15(19)12(8-6-2)14(11)18/h9-10,18-19,21H,5-8H2,1-4H3.
What are the key properties of N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide?
N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide is sourced from PubChem (CID 23549389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).