N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide

C18H24N4O2 — CID 99697524

IUPACN'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide
SMILESCc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C18H24N4O2/c1-12(2)9-16(15-8-6-5-7-13(15)3)21-18(24)17(23)20-14-10-19-22(4)11-14/h5-8,10-12,16H,9H2,1-4H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyCKOHSFAYVPPCGR-INIZCTEOSA-N
MW328.42 g/mol
LogP2.57
Rot. Bonds5

About N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide

N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide (PubChem CID 99697524) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide
PubChem CID99697524
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide
SMILESCc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C18H24N4O2/c1-12(2)9-16(15-8-6-5-7-13(15)3)21-18(24)17(23)20-14-10-19-22(4)11-14/h5-8,10-12,16H,9H2,1-4H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyCKOHSFAYVPPCGR-INIZCTEOSA-N
XLogP2.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610026
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 97007504
1-[3-methyl-1-(2-methylphenyl)butyl]-3-pyridazin-3-ylurea
CID 126775065
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
CID 119782823
2-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119184887
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32604442
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[(1S)-3-methyl-1-(2-methylphenyl)butyl]urea
CID 97072666

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide?
The IUPAC name of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide (CID 99697524) is N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide.
What is the SMILES notation for N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide?
The canonical SMILES for N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide is Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cnn(C)c1.
What is the InChIKey of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide?
The InChIKey is CKOHSFAYVPPCGR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)9-16(15-8-6-5-7-13(15)3)21-18(24)17(23)20-14-10-19-22(4)11-14/h5-8,10-12,16H,9H2,1-4H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide?
N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide has a molecular weight of 328.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide is sourced from PubChem (CID 99697524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).