(2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide

C19H23ClN2O2 — CID 151829678

IUPAC(2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide
SMILESCC[C@H](NC)C(=O)NCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-18(21-2)19(23)22-12-14-6-10-17(11-7-14)24-13-15-4-8-16(20)9-5-15/h4-11,18,21H,3,12-13H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeySEJJZULCTCYDGA-SFHVURJKSA-N
MW346.86 g/mol
LogP3.53
Rot. Bonds8

About (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide

(2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide (PubChem CID 151829678) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide
PubChem CID151829678
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide
SMILESCC[C@H](NC)C(=O)NCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-18(21-2)19(23)22-12-14-6-10-17(11-7-14)24-13-15-4-8-16(20)9-5-15/h4-11,18,21H,3,12-13H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeySEJJZULCTCYDGA-SFHVURJKSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
4-[(4-chlorophenoxy)methyl]-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9408975
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide?
The IUPAC name of (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide (CID 151829678) is (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide.
What is the SMILES notation for (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide?
The canonical SMILES for (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide is CC[C@H](NC)C(=O)NCc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide?
The InChIKey is SEJJZULCTCYDGA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-18(21-2)19(23)22-12-14-6-10-17(11-7-14)24-13-15-4-8-16(20)9-5-15/h4-11,18,21H,3,12-13H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide?
(2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide has a molecular weight of 346.86 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(methylamino)butanamide is sourced from PubChem (CID 151829678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).