2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C23H29ClN2O4 — CID 46448294

IUPAC2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)cc1OC
InChIInChI=1S/C23H29ClN2O4/c1-6-30-19-12-11-16(13-20(19)29-5)15(4)25-23(28)21(14(2)3)26-22(27)17-9-7-8-10-18(17)24/h7-15,21H,6H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyXRXGTNBVSZIANX-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.38
Rot. Bonds9

About 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 46448294) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID46448294
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Name2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)cc1OC
InChIInChI=1S/C23H29ClN2O4/c1-6-30-19-12-11-16(13-20(19)29-5)15(4)25-23(28)21(14(2)3)26-22(27)17-9-7-8-10-18(17)24/h7-15,21H,6H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyXRXGTNBVSZIANX-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55653743
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 43011675
N-[(2S)-1-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55942577
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
4-chloro-N-[1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55595814
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55343742
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 46448294) is 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(C)NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)cc1OC.
What is the InChIKey of 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is XRXGTNBVSZIANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-6-30-19-12-11-16(13-20(19)29-5)15(4)25-23(28)21(14(2)3)26-22(27)17-9-7-8-10-18(17)24/h7-15,21H,6H2,1-5H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 432.95 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46448294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).