3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide

C21H31N3O3 — CID 4842764

IUPAC3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)NCC(c1ccco1)N(C)C)(C3)C2
InChIInChI=1S/C21H31N3O3/c1-14(25)23-21-10-15-7-16(11-21)9-20(8-15,13-21)19(26)22-12-17(24(2)3)18-5-4-6-27-18/h4-6,15-17H,7-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQQYANPIIHVTJET-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.47
Rot. Bonds6

About 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide

3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 4842764) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID4842764
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)NCC(c1ccco1)N(C)C)(C3)C2
InChIInChI=1S/C21H31N3O3/c1-14(25)23-21-10-15-7-16(11-21)9-20(8-15,13-21)19(26)22-12-17(24(2)3)18-5-4-6-27-18/h4-6,15-17H,7-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyQQYANPIIHVTJET-UHFFFAOYSA-N
XLogP2.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7872614
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
(5R,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 98422119
(5R,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]adamantane-1-carboxamide
CID 98408155
(5R,7R)-3-bromo-N-[(2S)-2-(dimethylamino)-2-phenylethyl]adamantane-1-carboxamide
CID 99848104
(5S,7R)-3-acetamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
CID 25495003
3-acetamido-N-[2-[(4-chlorobenzoyl)amino]ethyl]adamantane-1-carboxamide
CID 42944694
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 4807610
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
CID 39951386
3-acetamido-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46199851
3-acetamido-N-[2-(3-methoxyphenoxy)ethyl]adamantane-1-carboxamide
CID 16765908
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide (CID 4842764) is 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide is CC(=O)NC12CC3CC(C1)CC(C(=O)NCC(c1ccco1)N(C)C)(C3)C2.
What is the InChIKey of 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is QQYANPIIHVTJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14(25)23-21-10-15-7-16(11-21)9-20(8-15,13-21)19(26)22-12-17(24(2)3)18-5-4-6-27-18/h4-6,15-17H,7-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide?
3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4842764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).