(3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide

C20H29N3O2 — CID 97323529

IUPAC(3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide
SMILESCCc1noc(CC)c1CN[C@@H](C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H29N3O2/c1-6-17-16(19(7-2)25-23-17)12-21-14(4)11-20(24)22-18-10-8-9-13(3)15(18)5/h8-10,14,21H,6-7,11-12H2,1-5H3,(H,22,24)/t14-/m0/s1
InChIKeyUDEZXHWSRCWWOS-AWEZNQCLSA-N
MW343.47 g/mol
LogP3.92
Rot. Bonds8

About (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide

(3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide (PubChem CID 97323529) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide.

Molecular Properties

Compound Name(3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide
PubChem CID97323529
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide
SMILESCCc1noc(CC)c1CN[C@@H](C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H29N3O2/c1-6-17-16(19(7-2)25-23-17)12-21-14(4)11-20(24)22-18-10-8-9-13(3)15(18)5/h8-10,14,21H,6-7,11-12H2,1-5H3,(H,22,24)/t14-/m0/s1
InChIKeyUDEZXHWSRCWWOS-AWEZNQCLSA-N
XLogP3.92
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92707983
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide
CID 97059465
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide
CID 97230115
methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
CID 62838643
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
(3S)-N-(2,3-dimethylphenyl)-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]butanamide
CID 97232167
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
N-(2,1,3-benzoselenadiazol-4-yl)-3-(ethylamino)butanamide
CID 62839530

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide?
The IUPAC name of (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide (CID 97323529) is (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide.
What is the SMILES notation for (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide?
The canonical SMILES for (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide is CCc1noc(CC)c1CN[C@@H](C)CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide?
The InChIKey is UDEZXHWSRCWWOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-6-17-16(19(7-2)25-23-17)12-21-14(4)11-20(24)22-18-10-8-9-13(3)15(18)5/h8-10,14,21H,6-7,11-12H2,1-5H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide?
(3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide has a molecular weight of 343.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3,5-diethyl-1,2-oxazol-4-yl)methylamino]-N-(2,3-dimethylphenyl)butanamide is sourced from PubChem (CID 97323529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).