N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide

C23H31N3O4 — CID 31835828

IUPACN-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(CC(=O)NNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H31N3O4/c1-30-19-4-2-15(3-5-19)11-21(28)26-25-20(27)6-7-24-22(29)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-5,16-18H,6-14H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyZYBVAURIGWVVES-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.11
Rot. Bonds7

About N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 31835828) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID31835828
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(CC(=O)NNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H31N3O4/c1-30-19-4-2-15(3-5-19)11-21(28)26-25-20(27)6-7-24-22(29)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-5,16-18H,6-14H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyZYBVAURIGWVVES-UHFFFAOYSA-N
XLogP2.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.11
H-Bond Donors ≤ 53
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-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8638102
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 30870609
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
methyl 2-[[2-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781631
N-[3-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 35047582
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18159466
N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 24553914
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661
methyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]thiophene-2-carboxylate
CID 36670376
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 34573326

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide (CID 31835828) is N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide is COc1ccc(CC(=O)NNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is ZYBVAURIGWVVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-30-19-4-2-15(3-5-19)11-21(28)26-25-20(27)6-7-24-22(29)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-5,16-18H,6-14H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 31835828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).