N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide

C19H23ClN2O2 — CID 119773656

IUPACN-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H23ClN2O2/c1-14-11-17(24-13-15-5-3-6-16(20)12-15)8-9-18(14)22-19(23)7-4-10-21-2/h3,5-6,8-9,11-12,21H,4,7,10,13H2,1-2H3,(H,22,23)
InChIKeyDLUCFENSLPNPPB-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.17
Rot. Bonds8

About N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide

N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide (PubChem CID 119773656) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
PubChem CID119773656
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H23ClN2O2/c1-14-11-17(24-13-15-5-3-6-16(20)12-15)8-9-18(14)22-19(23)7-4-10-21-2/h3,5-6,8-9,11-12,21H,4,7,10,13H2,1-2H3,(H,22,23)
InChIKeyDLUCFENSLPNPPB-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773673
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
(2S)-2-amino-N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119317790
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
CID 24952548
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497
N-(4-bromo-2-methylphenyl)-N'-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660735
2-amino-N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792081

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide (CID 119773656) is N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C.
What is the InChIKey of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide?
The InChIKey is DLUCFENSLPNPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-11-17(24-13-15-5-3-6-16(20)12-15)8-9-18(14)22-19(23)7-4-10-21-2/h3,5-6,8-9,11-12,21H,4,7,10,13H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide?
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide has a molecular weight of 346.86 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119773656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).