N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide

C20H28N4O — CID 95759677

IUPACN-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
SMILESCc1cnn([C@H](C)[C@H](C)NCC(=O)N[C@@H](c2ccccc2)C2CC2)c1
InChIInChI=1S/C20H28N4O/c1-14-11-22-24(13-14)16(3)15(2)21-12-19(25)23-20(18-9-10-18)17-7-5-4-6-8-17/h4-8,11,13,15-16,18,20-21H,9-10,12H2,1-3H3,(H,23,25)/t15-,16+,20-/m0/s1
InChIKeyOQSIEYDRUNNMPU-YRNRMSPPSA-N
MW340.47 g/mol
LogP3.00
Rot. Bonds8

About N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide

N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide (PubChem CID 95759677) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
PubChem CID95759677
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
SMILESCc1cnn([C@H](C)[C@H](C)NCC(=O)N[C@@H](c2ccccc2)C2CC2)c1
InChIInChI=1S/C20H28N4O/c1-14-11-22-24(13-14)16(3)15(2)21-12-19(25)23-20(18-9-10-18)17-7-5-4-6-8-17/h4-8,11,13,15-16,18,20-21H,9-10,12H2,1-3H3,(H,23,25)/t15-,16+,20-/m0/s1
InChIKeyOQSIEYDRUNNMPU-YRNRMSPPSA-N
XLogP3.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95614058
2-[[(2S)-3-chloro-2-(4-methylpyrazol-1-yl)propyl]-[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]amino]-N-[(R)-cyclopropyl(phenyl)methyl]acetamide
CID 98359604
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95613963
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95759701
2-[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 98158163
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
CID 95159580
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
N-[(R)-cyclopropyl(phenyl)methyl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569803
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95288528
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
The IUPAC name of N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide (CID 95759677) is N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
The canonical SMILES for N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide is Cc1cnn([C@H](C)[C@H](C)NCC(=O)N[C@@H](c2ccccc2)C2CC2)c1.
What is the InChIKey of N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
The InChIKey is OQSIEYDRUNNMPU-YRNRMSPPSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-11-22-24(13-14)16(3)15(2)21-12-19(25)23-20(18-9-10-18)17-7-5-4-6-8-17/h4-8,11,13,15-16,18,20-21H,9-10,12H2,1-3H3,(H,23,25)/t15-,16+,20-/m0/s1.
What are the key properties of N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl(phenyl)methyl]-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 95759677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).