(2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

C20H26N4O2 — CID 52531400

IUPAC(2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21)n1cccn1
InChIInChI=1S/C20H26N4O2/c1-15(24-13-7-12-21-24)20(26)22(2)14-19(25)23(3)18-11-6-9-16-8-4-5-10-17(16)18/h4-5,7-8,10,12-13,15,18H,6,9,11,14H2,1-3H3/t15-,18-/m0/s1
InChIKeyNETOLLUJXMWORX-YJBOKZPZSA-N
MW354.45 g/mol
LogP2.44
Rot. Bonds5

About (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

(2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 52531400) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
PubChem CID52531400
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21)n1cccn1
InChIInChI=1S/C20H26N4O2/c1-15(24-13-7-12-21-24)20(26)22(2)14-19(25)23(3)18-11-6-9-16-8-4-5-10-17(16)18/h4-5,7-8,10,12-13,15,18H,6,9,11,14H2,1-3H3/t15-,18-/m0/s1
InChIKeyNETOLLUJXMWORX-YJBOKZPZSA-N
XLogP2.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51183728
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
CID 52500328
2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9348085
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (CID 52531400) is (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is C[C@@H](C(=O)N(C)CC(=O)N(C)[C@H]1CCCc2ccccc21)n1cccn1.
What is the InChIKey of (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is NETOLLUJXMWORX-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(24-13-7-12-21-24)20(26)22(2)14-19(25)23(3)18-11-6-9-16-8-4-5-10-17(16)18/h4-5,7-8,10,12-13,15,18H,6,9,11,14H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 52531400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).