(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide

C20H23ClN2O2 — CID 129439724

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
SMILESCc1cc(O[C@H](C)C(=O)NN=CC[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(17-7-5-4-6-8-17)11-12-22-23-20(24)16(3)25-18-9-10-19(21)15(2)13-18/h4-10,12-14,16H,11H2,1-3H3,(H,23,24)/t14-,16-/m1/s1
InChIKeyOAUQQDBWNOWDCB-GDBMZVCRSA-N
MW358.87 g/mol
LogP4.71
Rot. Bonds7

About (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide

(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide (PubChem CID 129439724) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
PubChem CID129439724
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide
SMILESCc1cc(O[C@H](C)C(=O)NN=CC[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(17-7-5-4-6-8-17)11-12-22-23-20(24)16(3)25-18-9-10-19(21)15(2)13-18/h4-10,12-14,16H,11H2,1-3H3,(H,23,24)/t14-,16-/m1/s1
InChIKeyOAUQQDBWNOWDCB-GDBMZVCRSA-N
XLogP4.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 4258751
2-(4-chloro-3-methylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 132664011
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1H-indol-3-ylmethylideneamino)propanamide
CID 137206859
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]propanamide
CID 136790469
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide
CID 5431291
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide (CID 129439724) is (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide is Cc1cc(O[C@H](C)C(=O)NN=CC[C@@H](C)c2ccccc2)ccc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide?
The InChIKey is OAUQQDBWNOWDCB-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(17-7-5-4-6-8-17)11-12-22-23-20(24)16(3)25-18-9-10-19(21)15(2)13-18/h4-10,12-14,16H,11H2,1-3H3,(H,23,24)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide?
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-N-[[(3R)-3-phenylbutylidene]amino]propanamide is sourced from PubChem (CID 129439724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).