N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide

C20H23N5O4 — CID 24535877

IUPACN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc3n[nH]nc3c2)ccc1OCCC(C)C
InChIInChI=1S/C20H23N5O4/c1-12(2)8-9-29-17-7-5-14(11-18(17)28-3)20(27)24-23-19(26)13-4-6-15-16(10-13)22-25-21-15/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyZCMYFSJXEQHSLY-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.47
Rot. Bonds7

About N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide

N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide (PubChem CID 24535877) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
PubChem CID24535877
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc3n[nH]nc3c2)ccc1OCCC(C)C
InChIInChI=1S/C20H23N5O4/c1-12(2)8-9-29-17-7-5-14(11-18(17)28-3)20(27)24-23-19(26)13-4-6-15-16(10-13)22-25-21-15/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyZCMYFSJXEQHSLY-UHFFFAOYSA-N
XLogP2.47
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N'-(4-methoxybenzoyl)-2H-benzotriazole-5-carbohydrazide
CID 24535861
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N'-[3-bromo-4-(3-methylbutoxy)benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 17339516
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
CID 46556890
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46587095

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide?
The IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide (CID 24535877) is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide?
The canonical SMILES for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide is COc1cc(C(=O)NNC(=O)c2ccc3n[nH]nc3c2)ccc1OCCC(C)C.
What is the InChIKey of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide?
The InChIKey is ZCMYFSJXEQHSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-12(2)8-9-29-17-7-5-14(11-18(17)28-3)20(27)24-23-19(26)13-4-6-15-16(10-13)22-25-21-15/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,24,27)(H,21,22,25).
What are the key properties of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide?
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide has a molecular weight of 397.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide is sourced from PubChem (CID 24535877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).