ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate

C19H28ClNO5 — CID 95782335

IUPACethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
SMILESCCCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)OCC)[C@H](C)CC)cc1OC
InChIInChI=1S/C19H28ClNO5/c1-6-9-26-17-14(20)10-13(11-15(17)24-5)18(22)21-16(12(4)7-2)19(23)25-8-3/h10-12,16H,6-9H2,1-5H3,(H,21,22)/t12-,16-/m1/s1
InChIKeyVDCGBPIRGJNOOM-MLGOLLRUSA-N
MW385.89 g/mol
LogP3.85
Rot. Bonds10

About ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate

ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate (PubChem CID 95782335) has the molecular formula C19H28ClNO5 and a molecular weight of 385.89 g/mol. Its IUPAC name is ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
PubChem CID95782335
Molecular FormulaC19H28ClNO5
Molecular Weight385.89 g/mol
Exact Mass385.17
IUPAC Nameethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
SMILESCCCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)OCC)[C@H](C)CC)cc1OC
InChIInChI=1S/C19H28ClNO5/c1-6-9-26-17-14(20)10-13(11-15(17)24-5)18(22)21-16(12(4)7-2)19(23)25-8-3/h10-12,16H,6-9H2,1-5H3,(H,21,22)/t12-,16-/m1/s1
InChIKeyVDCGBPIRGJNOOM-MLGOLLRUSA-N
XLogP3.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate with MolForge

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Related Compounds

(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311387
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461561
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55401581
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate?
The IUPAC name of ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate (CID 95782335) is ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate.
What is the SMILES notation for ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate?
The canonical SMILES for ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate is CCCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)OCC)[C@H](C)CC)cc1OC.
What is the InChIKey of ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate?
The InChIKey is VDCGBPIRGJNOOM-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H28ClNO5/c1-6-9-26-17-14(20)10-13(11-15(17)24-5)18(22)21-16(12(4)7-2)19(23)25-8-3/h10-12,16H,6-9H2,1-5H3,(H,21,22)/t12-,16-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate?
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate has a molecular weight of 385.89 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate is sourced from PubChem (CID 95782335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).