N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide

C22H28N2O4 — CID 8757276

IUPACN'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-14-27-18-12-10-17(11-13-18)22(26)24-23-21(25)15-28-20-9-7-6-8-19(20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyNQYFXVANBBNMHP-MRXNPFEDSA-N
MW384.48 g/mol
LogP3.83
Rot. Bonds9

About N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide

N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide (PubChem CID 8757276) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
PubChem CID8757276
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-14-27-18-12-10-17(11-13-18)22(26)24-23-21(25)15-28-20-9-7-6-8-19(20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyNQYFXVANBBNMHP-MRXNPFEDSA-N
XLogP3.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
CID 4938673
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4957160
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 17150845
propyl 4-[2-[2-[2-(2-butan-2-ylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17130058
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-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide?
The IUPAC name of N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide (CID 8757276) is N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide?
The canonical SMILES for N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1.
What is the InChIKey of N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide?
The InChIKey is NQYFXVANBBNMHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-14-27-18-12-10-17(11-13-18)22(26)24-23-21(25)15-28-20-9-7-6-8-19(20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,25)(H,24,26)/t16-/m1/s1.
What are the key properties of N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide?
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide is sourced from PubChem (CID 8757276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).