4-amino-2-methoxy-N-octan-4-ylbenzamide

C16H26N2O2 — CID 106021761

IUPAC4-amino-2-methoxy-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C16H26N2O2/c1-4-6-8-13(7-5-2)18-16(19)14-10-9-12(17)11-15(14)20-3/h9-11,13H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyYTPPNZFSNXIZGY-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.37
Rot. Bonds8

About 4-amino-2-methoxy-N-octan-4-ylbenzamide

4-amino-2-methoxy-N-octan-4-ylbenzamide (PubChem CID 106021761) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-octan-4-ylbenzamide
PubChem CID106021761
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-2-methoxy-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(N)cc1OC
InChIInChI=1S/C16H26N2O2/c1-4-6-8-13(7-5-2)18-16(19)14-10-9-12(17)11-15(14)20-3/h9-11,13H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyYTPPNZFSNXIZGY-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
2-amino-6-methoxy-N-octan-4-ylbenzamide
CID 106021762
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
CID 106021592
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
2-[(4-amino-2-methoxybenzoyl)amino]pent-4-enoic acid
CID 107207977
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-octan-4-ylbenzamide?
The IUPAC name of 4-amino-2-methoxy-N-octan-4-ylbenzamide (CID 106021761) is 4-amino-2-methoxy-N-octan-4-ylbenzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-octan-4-ylbenzamide?
The canonical SMILES for 4-amino-2-methoxy-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-2-methoxy-N-octan-4-ylbenzamide?
The InChIKey is YTPPNZFSNXIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-8-13(7-5-2)18-16(19)14-10-9-12(17)11-15(14)20-3/h9-11,13H,4-8,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-2-methoxy-N-octan-4-ylbenzamide?
4-amino-2-methoxy-N-octan-4-ylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-octan-4-ylbenzamide is sourced from PubChem (CID 106021761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).