N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide

C27H33N3O4 — CID 24563028

IUPACN-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide
SMILESO=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C27H33N3O4/c31-24(30-23-7-2-1-6-22(23)25(32)29-17-21-5-4-10-34-21)8-3-9-28-26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h1-2,4-7,10,18-20H,3,8-9,11-17H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyUQQHHKLTPHYBFP-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.26
Rot. Bonds9

About N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide

N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide (PubChem CID 24563028) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide
PubChem CID24563028
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide
SMILESO=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C27H33N3O4/c31-24(30-23-7-2-1-6-22(23)25(32)29-17-21-5-4-10-34-21)8-3-9-28-26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h1-2,4-7,10,18-20H,3,8-9,11-17H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyUQQHHKLTPHYBFP-UHFFFAOYSA-N
XLogP4.26
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
N-[3-(2-iodoanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 17490902
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190863
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide (CID 24563028) is N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide is O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide?
The InChIKey is UQQHHKLTPHYBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c31-24(30-23-7-2-1-6-22(23)25(32)29-17-21-5-4-10-34-21)8-3-9-28-26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h1-2,4-7,10,18-20H,3,8-9,11-17H2,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide?
N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide is sourced from PubChem (CID 24563028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).