2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

C20H28N4O — CID 95609012

IUPAC2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESCc1cnn(C[C@H](C)NCC(=O)NC[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H28N4O/c1-15-10-23-24(13-15)14-16(2)21-12-20(25)22-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9-10,13,16,18,21H,5,7-8,11-12,14H2,1-2H3,(H,22,25)/t16-,18-/m0/s1
InChIKeyBEVKAYBWEISZAK-WMZOPIPTSA-N
MW340.47 g/mol
LogP2.41
Rot. Bonds7

About 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (PubChem CID 95609012) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
PubChem CID95609012
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESCc1cnn(C[C@H](C)NCC(=O)NC[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H28N4O/c1-15-10-23-24(13-15)14-16(2)21-12-20(25)22-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9-10,13,16,18,21H,5,7-8,11-12,14H2,1-2H3,(H,22,25)/t16-,18-/m0/s1
InChIKeyBEVKAYBWEISZAK-WMZOPIPTSA-N
XLogP2.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 95750431
N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95757698
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95326159
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 94502610
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95750345

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The IUPAC name of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (CID 95609012) is 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The canonical SMILES for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is Cc1cnn(C[C@H](C)NCC(=O)NC[C@@H]2CCCc3ccccc32)c1.
What is the InChIKey of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The InChIKey is BEVKAYBWEISZAK-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-10-23-24(13-15)14-16(2)21-12-20(25)22-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9-10,13,16,18,21H,5,7-8,11-12,14H2,1-2H3,(H,22,25)/t16-,18-/m0/s1.
What are the key properties of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 95609012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).