3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide

C15H21N3O2 — CID 62837775

IUPAC3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc2oc(CC)nc2c1
InChIInChI=1S/C15H21N3O2/c1-4-15-18-12-9-11(6-7-13(12)20-15)17-14(19)8-10(3)16-5-2/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyHISZPEYYNKWYMS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.72
Rot. Bonds6

About 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide

3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 62837775) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
PubChem CID62837775
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc2oc(CC)nc2c1
InChIInChI=1S/C15H21N3O2/c1-4-15-18-12-9-11(6-7-13(12)20-15)17-14(19)8-10(3)16-5-2/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyHISZPEYYNKWYMS-UHFFFAOYSA-N
XLogP2.72
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
4-amino-5-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-5-oxopentanoic acid
CID 64888528
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide (CID 62837775) is 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide is CCNC(C)CC(=O)Nc1ccc2oc(CC)nc2c1.
What is the InChIKey of 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is HISZPEYYNKWYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15-18-12-9-11(6-7-13(12)20-15)17-14(19)8-10(3)16-5-2/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide?
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 275.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 62837775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).