(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide

C16H21N3O2 — CID 92708095

IUPAC(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide
SMILESCCOc1ccccc1CNC(=O)C[C@@H](C)n1cccn1
InChIInChI=1S/C16H21N3O2/c1-3-21-15-8-5-4-7-14(15)12-17-16(20)11-13(2)19-10-6-9-18-19/h4-10,13H,3,11-12H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyUNIVFGRVDUBWAP-CYBMUJFWSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds7

About (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide

(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide (PubChem CID 92708095) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide
PubChem CID92708095
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide
SMILESCCOc1ccccc1CNC(=O)C[C@@H](C)n1cccn1
InChIInChI=1S/C16H21N3O2/c1-3-21-15-8-5-4-7-14(15)12-17-16(20)11-13(2)19-10-6-9-18-19/h4-10,13H,3,11-12H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyUNIVFGRVDUBWAP-CYBMUJFWSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
CID 92708028
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
N-methyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95277041
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazol-1-ylbutanamide
CID 92708005
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 112690620
N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95290372
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide (CID 92708095) is (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide is CCOc1ccccc1CNC(=O)C[C@@H](C)n1cccn1.
What is the InChIKey of (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide?
The InChIKey is UNIVFGRVDUBWAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-21-15-8-5-4-7-14(15)12-17-16(20)11-13(2)19-10-6-9-18-19/h4-10,13H,3,11-12H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide?
(3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-ethoxyphenyl)methyl]-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92708095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).