7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide

C16H26N2O3 — CID 119730561

IUPAC7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
SMILESCOc1ccc(C(O)CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H26N2O3/c1-21-14-9-7-13(8-10-14)15(19)12-18-16(20)6-4-2-3-5-11-17/h7-10,15,19H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyGZEBIWUUNDTHCC-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.75
Rot. Bonds10

About 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide

7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide (PubChem CID 119730561) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
PubChem CID119730561
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
SMILESCOc1ccc(C(O)CNC(=O)CCCCCCN)cc1
InChIInChI=1S/C16H26N2O3/c1-21-14-9-7-13(8-10-14)15(19)12-18-16(20)6-4-2-3-5-11-17/h7-10,15,19H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyGZEBIWUUNDTHCC-UHFFFAOYSA-N
XLogP1.75
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
CID 109380164
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 110889436
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide (CID 119730561) is 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide is COc1ccc(C(O)CNC(=O)CCCCCCN)cc1.
What is the InChIKey of 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide?
The InChIKey is GZEBIWUUNDTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-21-14-9-7-13(8-10-14)15(19)12-18-16(20)6-4-2-3-5-11-17/h7-10,15,19H,2-6,11-12,17H2,1H3,(H,18,20).
What are the key properties of 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide?
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide has a molecular weight of 294.40 g/mol, XLogP of 1.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide is sourced from PubChem (CID 119730561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).