2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide

C22H38N4O — CID 42601048

IUPAC2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](CN1C(N)=NC[C@@H]1C)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H38N4O/c1-14(2)4-19(13-26-15(3)12-24-21(26)23)25-20(27)11-22-8-16-5-17(9-22)7-18(6-16)10-22/h14-19H,4-13H2,1-3H3,(H2,23,24)(H,25,27)/t15-,16?,17?,18?,19-,22?/m0/s1
InChIKeyRVTPRHVXSHMEBK-AHHUIIKDSA-N
MW374.57 g/mol
LogP3.14
Rot. Bonds7

About 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide

2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide (PubChem CID 42601048) has the molecular formula C22H38N4O and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide
PubChem CID42601048
Molecular FormulaC22H38N4O
Molecular Weight374.57 g/mol
Exact Mass374.30
IUPAC Name2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](CN1C(N)=NC[C@@H]1C)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H38N4O/c1-14(2)4-19(13-26-15(3)12-24-21(26)23)25-20(27)11-22-8-16-5-17(9-22)7-18(6-16)10-22/h14-19H,4-13H2,1-3H3,(H2,23,24)(H,25,27)/t15-,16?,17?,18?,19-,22?/m0/s1
InChIKeyRVTPRHVXSHMEBK-AHHUIIKDSA-N
XLogP3.14
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide (CID 42601048) is 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide is CC(C)C[C@@H](CN1C(N)=NC[C@@H]1C)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide?
The InChIKey is RVTPRHVXSHMEBK-AHHUIIKDSA-N. The full InChI is InChI=1S/C22H38N4O/c1-14(2)4-19(13-26-15(3)12-24-21(26)23)25-20(27)11-22-8-16-5-17(9-22)7-18(6-16)10-22/h14-19H,4-13H2,1-3H3,(H2,23,24)(H,25,27)/t15-,16?,17?,18?,19-,22?/m0/s1.
What are the key properties of 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide?
2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide has a molecular weight of 374.57 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2S)-1-[(5S)-2-amino-5-methyl-4,5-dihydroimidazol-1-yl]-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 42601048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).