7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride

C20H27ClN2O3 — CID 119697280

IUPAC7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCCCCN)cc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-24-18-8-5-6-9-19(18)25-17-13-11-16(12-14-17)22-20(23)10-4-2-3-7-15-21;/h5-6,8-9,11-14H,2-4,7,10,15,21H2,1H3,(H,22,23);1H
InChIKeyNPSGZIWYHFUNFU-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.76
Rot. Bonds10

About 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride

7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride (PubChem CID 119697280) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
PubChem CID119697280
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCCCCN)cc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-24-18-8-5-6-9-19(18)25-17-13-11-16(12-14-17)22-20(23)10-4-2-3-7-15-21;/h5-6,8-9,11-14H,2-4,7,10,15,21H2,1H3,(H,22,23);1H
InChIKeyNPSGZIWYHFUNFU-UHFFFAOYSA-N
XLogP4.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 27901791
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
4-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]butanamide
CID 119322066
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride (CID 119697280) is 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride is COc1ccccc1Oc1ccc(NC(=O)CCCCCCN)cc1.Cl.
What is the InChIKey of 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride?
The InChIKey is NPSGZIWYHFUNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-24-18-8-5-6-9-19(18)25-17-13-11-16(12-14-17)22-20(23)10-4-2-3-7-15-21;/h5-6,8-9,11-14H,2-4,7,10,15,21H2,1H3,(H,22,23);1H.
What are the key properties of 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 4.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119697280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).