2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide

C19H25N3O2 — CID 95968165

IUPAC2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1cccc([C@H](C)N(C(=O)CC2CCC2)c2cnn(C)c2)c1
InChIInChI=1S/C19H25N3O2/c1-14(16-8-5-9-18(11-16)24-3)22(17-12-20-21(2)13-17)19(23)10-15-6-4-7-15/h5,8-9,11-15H,4,6-7,10H2,1-3H3/t14-/m0/s1
InChIKeyNJFFALZVAYXYGV-AWEZNQCLSA-N
MW327.43 g/mol
LogP3.71
Rot. Bonds6

About 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide

2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 95968165) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID95968165
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1cccc([C@H](C)N(C(=O)CC2CCC2)c2cnn(C)c2)c1
InChIInChI=1S/C19H25N3O2/c1-14(16-8-5-9-18(11-16)24-3)22(17-12-20-21(2)13-17)19(23)10-15-6-4-7-15/h5,8-9,11-15H,4,6-7,10H2,1-3H3/t14-/m0/s1
InChIKeyNJFFALZVAYXYGV-AWEZNQCLSA-N
XLogP3.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 47078761
2-[[(1S)-1-(3-methoxyphenyl)ethyl]-(1-methylpyrazol-4-yl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124865743
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 114520812
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
CID 94345225
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide (CID 95968165) is 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide is COc1cccc([C@H](C)N(C(=O)CC2CCC2)c2cnn(C)c2)c1.
What is the InChIKey of 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is NJFFALZVAYXYGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(16-8-5-9-18(11-16)24-3)22(17-12-20-21(2)13-17)19(23)10-15-6-4-7-15/h5,8-9,11-15H,4,6-7,10H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide?
2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 95968165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).