N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide

C21H30N2O — CID 8897653

IUPACN-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C21H30N2O/c1-15(19-5-3-2-4-6-19)22-13-20(24)23-14-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,15-18,22H,7-14H2,1H3,(H,23,24)/t15-,16?,17?,18?,21?/m1/s1
InChIKeyYQXDWZIZRLSXDY-NEFAXPCMSA-N
MW326.48 g/mol
LogP3.67
Rot. Bonds6

About N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide

N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 8897653) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
PubChem CID8897653
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C21H30N2O/c1-15(19-5-3-2-4-6-19)22-13-20(24)23-14-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,15-18,22H,7-14H2,1H3,(H,23,24)/t15-,16?,17?,18?,21?/m1/s1
InChIKeyYQXDWZIZRLSXDY-NEFAXPCMSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7874060
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
(1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol
CID 10637907
N-(3,3-diphenylpropyl)-2-(1-phenylethylamino)acetamide
CID 47006231
[2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833521
N-(1-adamantylmethyl)-2-[[5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7907507
N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9335484
[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755317
1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (CID 8897653) is N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is C[C@@H](NCC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is YQXDWZIZRLSXDY-NEFAXPCMSA-N. The full InChI is InChI=1S/C21H30N2O/c1-15(19-5-3-2-4-6-19)22-13-20(24)23-14-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,15-18,22H,7-14H2,1H3,(H,23,24)/t15-,16?,17?,18?,21?/m1/s1.
What are the key properties of N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide has a molecular weight of 326.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 8897653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).