2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide

C24H38N4O2 — CID 124807153

IUPAC2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide
SMILESCc1n[nH]c(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NC[C@H](C)N4CCOCC4)(C3)C1)C2
InChIInChI=1S/C24H38N4O2/c1-16(28-4-6-30-7-5-28)14-25-21(29)13-23-9-19-8-20(10-23)12-24(11-19,15-23)22-17(2)26-27-18(22)3/h16,19-20H,4-15H2,1-3H3,(H,25,29)(H,26,27)/t16-,19-,20-,23?,24?/m0/s1
InChIKeyPZQRCVSDRHVKDZ-UNIYWIHDSA-N
MW414.59 g/mol
LogP3.09
Rot. Bonds6

About 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide

2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide (PubChem CID 124807153) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide.

Molecular Properties

Compound Name2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide
PubChem CID124807153
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide
SMILESCc1n[nH]c(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NC[C@H](C)N4CCOCC4)(C3)C1)C2
InChIInChI=1S/C24H38N4O2/c1-16(28-4-6-30-7-5-28)14-25-21(29)13-23-9-19-8-20(10-23)12-24(11-19,15-23)22-17(2)26-27-18(22)3/h16,19-20H,4-15H2,1-3H3,(H,25,29)(H,26,27)/t16-,19-,20-,23?,24?/m0/s1
InChIKeyPZQRCVSDRHVKDZ-UNIYWIHDSA-N
XLogP3.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5S,7S)-3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-[(2R)-2-morpholin-4-ylpropyl]acetamide
CID 98132763
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide
CID 124752605
2-[(5S,7S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide
CID 98138159
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-adamantyl]acetohydrazide
CID 4093430
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 54903954
4-(methoxymethyl)-N-(2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 120642361
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451
4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 47168421
1-[(2S)-2-morpholin-4-ylpropyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 97087430
N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
CID 7740968
3-methyl-N-[(2S)-2-morpholin-4-ylpropyl]oxetane-3-carboxamide
CID 129345062

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide?
The IUPAC name of 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide (CID 124807153) is 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide.
What is the SMILES notation for 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide?
The canonical SMILES for 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide is Cc1n[nH]c(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)NC[C@H](C)N4CCOCC4)(C3)C1)C2.
What is the InChIKey of 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide?
The InChIKey is PZQRCVSDRHVKDZ-UNIYWIHDSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-16(28-4-6-30-7-5-28)14-25-21(29)13-23-9-19-8-20(10-23)12-24(11-19,15-23)22-17(2)26-27-18(22)3/h16,19-20H,4-15H2,1-3H3,(H,25,29)(H,26,27)/t16-,19-,20-,23?,24?/m0/s1.
What are the key properties of 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide?
2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide has a molecular weight of 414.59 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,7S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-adamantyl]-N-[(2S)-2-morpholin-4-ylpropyl]acetamide is sourced from PubChem (CID 124807153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).