7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride

C19H32ClNO3 — CID 70613084

IUPAC7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
SMILESCCN(CCCCCCC(=O)O)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C19H31NO3.ClH/c1-4-20(14-8-6-5-7-9-19(21)22)16(2)15-17-10-12-18(23-3)13-11-17;/h10-13,16H,4-9,14-15H2,1-3H3,(H,21,22);1H
InChIKeyKQBXJCOQNUJVKU-UHFFFAOYSA-N
MW357.92 g/mol
LogP4.41
Rot. Bonds12

About 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride

7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride (PubChem CID 70613084) has the molecular formula C19H32ClNO3 and a molecular weight of 357.92 g/mol. Its IUPAC name is 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride.

Molecular Properties

Compound Name7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
PubChem CID70613084
Molecular FormulaC19H32ClNO3
Molecular Weight357.92 g/mol
Exact Mass357.21
IUPAC Name7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
SMILESCCN(CCCCCCC(=O)O)C(C)Cc1ccc(OC)cc1.Cl
InChIInChI=1S/C19H31NO3.ClH/c1-4-20(14-8-6-5-7-9-19(21)22)16(2)15-17-10-12-18(23-3)13-11-17;/h10-13,16H,4-9,14-15H2,1-3H3,(H,21,22);1H
InChIKeyKQBXJCOQNUJVKU-UHFFFAOYSA-N
XLogP4.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410
propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 54252796
1-(4-benzoylpiperazin-1-yl)-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
CID 19872439
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872420
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
CID 4031
3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82352334
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
CID 19872421
N-ethyl-1-(4-methoxyphenyl)-N-[3-(2-propan-2-yl-1,3-dioxolan-2-yl)propyl]propan-2-amine
CID 22760827
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-bis(trideuteriomethoxy)benzoate
CID 71749916
N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
CID 23848174
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
7-[4-(2-methylpropyl)phenoxy]heptanoic acid
CID 59134606

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride?
The IUPAC name of 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride (CID 70613084) is 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride.
What is the SMILES notation for 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride?
The canonical SMILES for 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride is CCN(CCCCCCC(=O)O)C(C)Cc1ccc(OC)cc1.Cl.
What is the InChIKey of 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride?
The InChIKey is KQBXJCOQNUJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3.ClH/c1-4-20(14-8-6-5-7-9-19(21)22)16(2)15-17-10-12-18(23-3)13-11-17;/h10-13,16H,4-9,14-15H2,1-3H3,(H,21,22);1H.
What are the key properties of 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride?
7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride has a molecular weight of 357.92 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride is sourced from PubChem (CID 70613084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).