3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride

C20H27ClN2O3 — CID 119732117

IUPAC3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)c2cccc(N)c2)ccc1OCC(C)C.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-13(2)12-25-18-9-8-15(11-19(18)24-4)14(3)22-20(23)16-6-5-7-17(21)10-16;/h5-11,13-14H,12,21H2,1-4H3,(H,22,23);1H
InChIKeyMCRNCFCWFHDXJU-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.22
Rot. Bonds7

About 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride

3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride (PubChem CID 119732117) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
PubChem CID119732117
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)c2cccc(N)c2)ccc1OCC(C)C.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-13(2)12-25-18-9-8-15(11-19(18)24-4)14(3)22-20(23)16-6-5-7-17(21)10-16;/h5-11,13-14H,12,21H2,1-4H3,(H,22,23);1H
InChIKeyMCRNCFCWFHDXJU-UHFFFAOYSA-N
XLogP4.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 51940490
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 55639036
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]-[(3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 5254511
N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide
CID 42958527
ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959966
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate
CID 55881567
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 55637535

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride (CID 119732117) is 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride is COc1cc(C(C)NC(=O)c2cccc(N)c2)ccc1OCC(C)C.Cl.
What is the InChIKey of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride?
The InChIKey is MCRNCFCWFHDXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-13(2)12-25-18-9-8-15(11-19(18)24-4)14(3)22-20(23)16-6-5-7-17(21)10-16;/h5-11,13-14H,12,21H2,1-4H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride?
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119732117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).