7-amino-N-(4-butan-2-yloxyphenyl)heptanamide

C17H28N2O2 — CID 119739480

IUPAC7-amino-N-(4-butan-2-yloxyphenyl)heptanamide
SMILESCCC(C)Oc1ccc(NC(=O)CCCCCCN)cc1
InChIInChI=1S/C17H28N2O2/c1-3-14(2)21-16-11-9-15(10-12-16)19-17(20)8-6-4-5-7-13-18/h9-12,14H,3-8,13,18H2,1-2H3,(H,19,20)
InChIKeyILZBXKMJEVNGSI-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.71
Rot. Bonds10

About 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide

7-amino-N-(4-butan-2-yloxyphenyl)heptanamide (PubChem CID 119739480) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(4-butan-2-yloxyphenyl)heptanamide
PubChem CID119739480
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name7-amino-N-(4-butan-2-yloxyphenyl)heptanamide
SMILESCCC(C)Oc1ccc(NC(=O)CCCCCCN)cc1
InChIInChI=1S/C17H28N2O2/c1-3-14(2)21-16-11-9-15(10-12-16)19-17(20)8-6-4-5-7-13-18/h9-12,14H,3-8,13,18H2,1-2H3,(H,19,20)
InChIKeyILZBXKMJEVNGSI-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-butan-2-yloxyanilino)-5-oxopentanoic acid
CID 17160602
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide?
The IUPAC name of 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide (CID 119739480) is 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide is CCC(C)Oc1ccc(NC(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide?
The InChIKey is ILZBXKMJEVNGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-14(2)21-16-11-9-15(10-12-16)19-17(20)8-6-4-5-7-13-18/h9-12,14H,3-8,13,18H2,1-2H3,(H,19,20).
What are the key properties of 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide?
7-amino-N-(4-butan-2-yloxyphenyl)heptanamide has a molecular weight of 292.42 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-butan-2-yloxyphenyl)heptanamide is sourced from PubChem (CID 119739480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).