N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide

C23H31N3O5 — CID 30870609

IUPACN-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(=O)NNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C23H31N3O5/c1-30-18-4-3-17(10-19(18)31-2)21(28)26-25-20(27)5-6-24-22(29)23-11-14-7-15(12-23)9-16(8-14)13-23/h3-4,10,14-16H,5-9,11-13H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyGURLPWJNLADRFM-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.19
Rot. Bonds7

About N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 30870609) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID30870609
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC NameN-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(=O)NNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C23H31N3O5/c1-30-18-4-3-17(10-19(18)31-2)21(28)26-25-20(27)5-6-24-22(29)23-11-14-7-15(12-23)9-16(8-14)13-23/h3-4,10,14-16H,5-9,11-13H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyGURLPWJNLADRFM-UHFFFAOYSA-N
XLogP2.19
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8638102
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide
CID 9020837
2-[4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9086076
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 9263320
N-[3-(3,4-diethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 16557267
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8640098
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N-[3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 86950290
N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 24645321

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide (CID 30870609) is N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide is COc1ccc(C(=O)NNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC.
What is the InChIKey of N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is GURLPWJNLADRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-30-18-4-3-17(10-19(18)31-2)21(28)26-25-20(27)5-6-24-22(29)23-11-14-7-15(12-23)9-16(8-14)13-23/h3-4,10,14-16H,5-9,11-13H2,1-2H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 30870609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).