N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide

C22H30N2O2 — CID 55368467

IUPACN-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCCNC(=O)CNC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C22H30N2O2/c1-3-23-19(25)13-24-20(26)22-11-16-8-17(12-22)10-21(9-16,14-22)18-6-4-15(2)5-7-18/h4-7,16-17H,3,8-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVGSMGYSBRHHIDM-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide

N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 55368467) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID55368467
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCCNC(=O)CNC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2
InChIInChI=1S/C22H30N2O2/c1-3-23-19(25)13-24-20(26)22-11-16-8-17(12-22)10-21(9-16,14-22)18-6-4-15(2)5-7-18/h4-7,16-17H,3,8-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVGSMGYSBRHHIDM-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500
(5R,7R)-3-(4-methylphenyl)-N-prop-2-enyladamantane-1-carboxamide
CID 98185677
N-(3-aminopropyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 119408280
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
methyl 2-[[2-[4-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781665
(2S)-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 2133286
2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 6591742
(5R,7R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98144224
N-(2-cyclopropyl-2-oxoethyl)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 127816461
N-[2-(3-methylimidazol-4-yl)ethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 166222098
(5S,7S)-N,N-dimethyl-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98115320

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide (CID 55368467) is N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide is CCNC(=O)CNC(=O)C12CC3CC(C1)CC(c1ccc(C)cc1)(C3)C2.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is VGSMGYSBRHHIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-23-19(25)13-24-20(26)22-11-16-8-17(12-22)10-21(9-16,14-22)18-6-4-15(2)5-7-18/h4-7,16-17H,3,8-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 55368467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).