3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide

C22H30N2O2 — CID 54795522

IUPAC3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-8-17-26-20-14-12-19(13-15-20)24-22(25)16-11-18-9-6-7-10-21(18)23/h6-7,9-10,12-15H,2-5,8,11,16-17,23H2,1H3,(H,24,25)
InChIKeyXVOOSJVCNZJKQF-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.19
Rot. Bonds11

About 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide

3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide (PubChem CID 54795522) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
PubChem CID54795522
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-8-17-26-20-14-12-19(13-15-20)24-22(25)16-11-18-9-6-7-10-21(18)23/h6-7,9-10,12-15H,2-5,8,11,16-17,23H2,1H3,(H,24,25)
InChIKeyXVOOSJVCNZJKQF-UHFFFAOYSA-N
XLogP5.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
N-(4-decoxyphenyl)butanamide
CID 143303175
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637
N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
CID 26163356
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
CID 120610801

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide (CID 54795522) is 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide is CCCCCCCOc1ccc(NC(=O)CCc2ccccc2N)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide?
The InChIKey is XVOOSJVCNZJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-3-4-5-8-17-26-20-14-12-19(13-15-20)24-22(25)16-11-18-9-6-7-10-21(18)23/h6-7,9-10,12-15H,2-5,8,11,16-17,23H2,1H3,(H,24,25).
What are the key properties of 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide?
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide has a molecular weight of 354.49 g/mol, XLogP of 5.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide is sourced from PubChem (CID 54795522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).