N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide

C23H33N3O3 — CID 17454177

IUPACN-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
SMILESCOc1ccc(NC(=O)NCCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H33N3O3/c1-15(23-12-16-9-17(13-23)11-18(10-16)14-23)25-21(27)7-8-24-22(28)26-19-3-5-20(29-2)6-4-19/h3-6,15-18H,7-14H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyWPYCPMAGRVBYFA-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.93
Rot. Bonds7

About N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide

N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide (PubChem CID 17454177) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
PubChem CID17454177
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
SMILESCOc1ccc(NC(=O)NCCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H33N3O3/c1-15(23-12-16-9-17(13-23)11-18(10-16)14-23)25-21(27)7-8-24-22(28)26-19-3-5-20(29-2)6-4-19/h3-6,15-18H,7-14H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyWPYCPMAGRVBYFA-UHFFFAOYSA-N
XLogP3.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46571064
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7929308
1-[1-(1-adamantyl)ethyl]-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907609
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7689128
N-[1-(1-adamantyl)ethyl]-4-(4-tert-butylphenoxy)butanamide
CID 4280324
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
CID 7068856

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide (CID 17454177) is N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide is COc1ccc(NC(=O)NCCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
The InChIKey is WPYCPMAGRVBYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-15(23-12-16-9-17(13-23)11-18(10-16)14-23)25-21(27)7-8-24-22(28)26-19-3-5-20(29-2)6-4-19/h3-6,15-18H,7-14H2,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide has a molecular weight of 399.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 17454177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).