N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide

C22H32N2O2 — CID 7874060

IUPACN-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
SMILESCOc1ccccc1[C@H](C)NCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c1-15(19-5-3-4-6-20(19)26-2)23-13-21(25)24-14-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18,23H,7-14H2,1-2H3,(H,24,25)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyXRVNXCDENIJBFY-BZSISCHUSA-N
MW356.51 g/mol
LogP3.68
Rot. Bonds7

About N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide

N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide (PubChem CID 7874060) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
PubChem CID7874060
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
SMILESCOc1ccccc1[C@H](C)NCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c1-15(19-5-3-4-6-20(19)26-2)23-13-21(25)24-14-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18,23H,7-14H2,1-2H3,(H,24,25)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyXRVNXCDENIJBFY-BZSISCHUSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897653
N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 81386987
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
CID 81387454
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168519
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
2-[1-(2-ethoxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900155
[2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833521
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47006554
N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 46563293
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903408

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide (CID 7874060) is N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide is COc1ccccc1[C@H](C)NCC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
The InChIKey is XRVNXCDENIJBFY-BZSISCHUSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15(19-5-3-4-6-20(19)26-2)23-13-21(25)24-14-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,15-18,23H,7-14H2,1-2H3,(H,24,25)/t15-,16?,17?,18?,22?/m0/s1.
What are the key properties of N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide has a molecular weight of 356.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 7874060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).