N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

C18H26N4O2 — CID 95311797

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)Cn1cc(C)cn1
InChIInChI=1S/C18H26N4O2/c1-13-9-20-22(11-13)12-14(2)19-10-18(23)21-15(3)16-7-5-6-8-17(16)24-4/h5-9,11,14-15,19H,10,12H2,1-4H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyCNPUUVKMPAOXME-LSDHHAIUSA-N
MW330.43 g/mol
LogP2.06
Rot. Bonds8

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (PubChem CID 95311797) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
PubChem CID95311797
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)Cn1cc(C)cn1
InChIInChI=1S/C18H26N4O2/c1-13-9-20-22(11-13)12-14(2)19-10-18(23)21-15(3)16-7-5-6-8-17(16)24-4/h5-9,11,14-15,19H,10,12H2,1-4H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyCNPUUVKMPAOXME-LSDHHAIUSA-N
XLogP2.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94200377
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 95613963
3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95301284
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 95750431
2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 81387632
N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95757698
N-[(1R)-1-naphthalen-1-ylethyl]-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
CID 95611988
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
CID 81387454
3-(ethylamino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387789
(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95292873

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (CID 95311797) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)Cn1cc(C)cn1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is CNPUUVKMPAOXME-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-9-20-22(11-13)12-14(2)19-10-18(23)21-15(3)16-7-5-6-8-17(16)24-4/h5-9,11,14-15,19H,10,12H2,1-4H3,(H,21,23)/t14-,15+/m0/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 95311797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).