N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide

C24H34N2O3 — CID 51292727

IUPACN-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H34N2O3/c1-3-29-21-6-4-20(5-7-21)16(2)26-22(27)8-9-25-23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,16-19H,3,8-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySDWISJGFRAFUIR-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.99
Rot. Bonds8

About N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 51292727) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID51292727
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H34N2O3/c1-3-29-21-6-4-20(5-7-21)16(2)26-22(27)8-9-25-23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,16-19H,3,8-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySDWISJGFRAFUIR-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8638102
3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 5197400
N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 9263320
N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
CID 16557098
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 134010279
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449
N-[3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 86950290
(3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate
CID 7291562
(3R)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate
CID 7291560
N-[3-(3,4-diethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 16557267
N-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51114201
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 51308768

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 51292727) is N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide is CCOc1ccc(C(C)NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is SDWISJGFRAFUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-3-29-21-6-4-20(5-7-21)16(2)26-22(27)8-9-25-23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,16-19H,3,8-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 51292727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).