N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide

C23H30N2O4 — CID 8714581

IUPACN'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1
InChIInChI=1S/C23H30N2O4/c1-4-6-15-28-19-13-11-18(12-14-19)23(27)25-24-22(26)16-29-21-10-8-7-9-20(21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyQODAGBKPNZGEGZ-KRWDZBQOSA-N
MW398.50 g/mol
LogP4.22
Rot. Bonds10

About N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide

N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide (PubChem CID 8714581) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
PubChem CID8714581
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1
InChIInChI=1S/C23H30N2O4/c1-4-6-15-28-19-13-11-18(12-14-19)23(27)25-24-22(26)16-29-21-10-8-7-9-20(21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyQODAGBKPNZGEGZ-KRWDZBQOSA-N
XLogP4.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 17150845
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
3-butoxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956700
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4957160
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]pentanamide
CID 4925750

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide?
The IUPAC name of N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide (CID 8714581) is N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide.
What is the SMILES notation for N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide?
The canonical SMILES for N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1.
What is the InChIKey of N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide?
The InChIKey is QODAGBKPNZGEGZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-6-15-28-19-13-11-18(12-14-19)23(27)25-24-22(26)16-29-21-10-8-7-9-20(21)17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide?
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide has a molecular weight of 398.50 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide is sourced from PubChem (CID 8714581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).