[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C22H29NO3 — CID 7755317

IUPAC[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C22H29NO3/c1-15(19-5-3-2-4-6-19)26-21(25)14-23-20(24)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h2-6,15-18H,7-14H2,1H3,(H,23,24)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyHZJWWGJVZTWBIG-BZSISCHUSA-N
MW355.48 g/mol
LogP4.01
Rot. Bonds6

About [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7755317) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7755317
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C22H29NO3/c1-15(19-5-3-2-4-6-19)26-21(25)14-23-20(24)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h2-6,15-18H,7-14H2,1H3,(H,23,24)/t15-,16?,17?,18?,22?/m0/s1
InChIKeyHZJWWGJVZTWBIG-BZSISCHUSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7715777
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309702
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309757
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenylacetamide
CID 51315386
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
2-(2-methylphenoxy)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755309
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351
(2-ethoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755551
N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897653
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
1-[[2-(1-adamantyl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 40648066

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7755317) is [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is C[C@H](OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is HZJWWGJVZTWBIG-BZSISCHUSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(19-5-3-2-4-6-19)26-21(25)14-23-20(24)13-22-10-16-7-17(11-22)9-18(8-16)12-22/h2-6,15-18H,7-14H2,1H3,(H,23,24)/t15-,16?,17?,18?,22?/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 355.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7755317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).