N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide

C24H34N2O2 — CID 18190949

IUPACN-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide
SMILESCc1ccccc1CCNC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c1-17-5-2-3-6-21(17)8-10-25-22(27)7-4-9-26-23(28)24-14-18-11-19(15-24)13-20(12-18)16-24/h2-3,5-6,18-20H,4,7-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNRVAXXGGVDYIHA-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.77
Rot. Bonds8

About N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide

N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide (PubChem CID 18190949) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide
PubChem CID18190949
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide
SMILESCc1ccccc1CCNC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O2/c1-17-5-2-3-6-21(17)8-10-25-22(27)7-4-9-26-23(28)24-14-18-11-19(15-24)13-20(12-18)16-24/h2-3,5-6,18-20H,4,7-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNRVAXXGGVDYIHA-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
N-[4-(benzhydrylamino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398026
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 18114572
N-[4-(5-chloro-2-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398365
N-[4-(3-chloro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9395723
N-[4-(3-fluoro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9427529
N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
CID 108542343
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 34739578
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide (CID 18190949) is N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide is Cc1ccccc1CCNC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide?
The InChIKey is NRVAXXGGVDYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-17-5-2-3-6-21(17)8-10-25-22(27)7-4-9-26-23(28)24-14-18-11-19(15-24)13-20(12-18)16-24/h2-3,5-6,18-20H,4,7-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide?
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide is sourced from PubChem (CID 18190949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).