7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide

C16H23N3O2 — CID 60946050

IUPAC7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
SMILESCCc1nc2cc(NC(=O)CCCCCCN)ccc2o1
InChIInChI=1S/C16H23N3O2/c1-2-16-19-13-11-12(8-9-14(13)21-16)18-15(20)7-5-3-4-6-10-17/h8-9,11H,2-7,10,17H2,1H3,(H,18,20)
InChIKeyPNUWUJKJMKASQV-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.24
Rot. Bonds8

About 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide

7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide (PubChem CID 60946050) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
PubChem CID60946050
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
SMILESCCc1nc2cc(NC(=O)CCCCCCN)ccc2o1
InChIInChI=1S/C16H23N3O2/c1-2-16-19-13-11-12(8-9-14(13)21-16)18-15(20)7-5-3-4-6-10-17/h8-9,11H,2-7,10,17H2,1H3,(H,18,20)
InChIKeyPNUWUJKJMKASQV-UHFFFAOYSA-N
XLogP3.24
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
CID 119748980
4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 60549765
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119725962
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide?
The IUPAC name of 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide (CID 60946050) is 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide?
The canonical SMILES for 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide is CCc1nc2cc(NC(=O)CCCCCCN)ccc2o1.
What is the InChIKey of 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide?
The InChIKey is PNUWUJKJMKASQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-16-19-13-11-12(8-9-14(13)21-16)18-15(20)7-5-3-4-6-10-17/h8-9,11H,2-7,10,17H2,1H3,(H,18,20).
What are the key properties of 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide?
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide has a molecular weight of 289.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide is sourced from PubChem (CID 60946050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).