(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide

C19H25N3O2 — CID 97230115

IUPAC(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide
SMILESCCOc1cc(CN[C@H](C)CC(=O)Nc2ccccc2C)ccn1
InChIInChI=1S/C19H25N3O2/c1-4-24-19-12-16(9-10-20-19)13-21-15(3)11-18(23)22-17-8-6-5-7-14(17)2/h5-10,12,15,21H,4,11,13H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyAZZAMKPOYARPJC-OAHLLOKOSA-N
MW327.43 g/mol
LogP3.30
Rot. Bonds8

About (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide

(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide (PubChem CID 97230115) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide
PubChem CID97230115
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide
SMILESCCOc1cc(CN[C@H](C)CC(=O)Nc2ccccc2C)ccn1
InChIInChI=1S/C19H25N3O2/c1-4-24-19-12-16(9-10-20-19)13-21-15(3)11-18(23)22-17-8-6-5-7-14(17)2/h5-10,12,15,21H,4,11,13H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyAZZAMKPOYARPJC-OAHLLOKOSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401913
(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708012
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
tert-butyl N-[(2R)-4-(2-methylanilino)-4-oxobutan-2-yl]carbamate
CID 95781912
3-(ethylamino)-N-(8-methylquinolin-5-yl)butanamide
CID 62837223
methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
(3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide
CID 97323529
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43179613
N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide
CID 166208672

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide?
The IUPAC name of (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide (CID 97230115) is (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide.
What is the SMILES notation for (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide?
The canonical SMILES for (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide is CCOc1cc(CN[C@H](C)CC(=O)Nc2ccccc2C)ccn1.
What is the InChIKey of (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide?
The InChIKey is AZZAMKPOYARPJC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-24-19-12-16(9-10-20-19)13-21-15(3)11-18(23)22-17-8-6-5-7-14(17)2/h5-10,12,15,21H,4,11,13H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide?
(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide has a molecular weight of 327.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 97230115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).