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

C19H26N4O — CID 95750345

IUPACN-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cnn(CCNCC(=O)N(C)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C19H26N4O/c1-15-12-21-23(14-15)11-10-20-13-19(24)22(2)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,12,14,18,20H,5,7,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeySGEOMFIIPZKDOZ-SFHVURJKSA-N
MW326.44 g/mol
LogP2.32
Rot. Bonds6

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

N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 95750345) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID95750345
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cnn(CCNCC(=O)N(C)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C19H26N4O/c1-15-12-21-23(14-15)11-10-20-13-19(24)22(2)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,12,14,18,20H,5,7,9-11,13H2,1-2H3/t18-/m0/s1
InChIKeySGEOMFIIPZKDOZ-SFHVURJKSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
N-methyl-2-[(2-methylcyclohexyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112799932
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51183728
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
3-chloro-N,6-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 97124608
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95609012
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 95750345) is N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1cnn(CCNCC(=O)N(C)[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SGEOMFIIPZKDOZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-12-21-23(14-15)11-10-20-13-19(24)22(2)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,12,14,18,20H,5,7,9-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 95750345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).