N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C20H30N2O4 — CID 124741877

IUPACN-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCCO[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@H]1OC
InChIInChI=1S/C20H30N2O4/c1-6-26-16-11-15(18(16)25-5)21-20(24)17(12(2)3)22-19(23)14-9-7-8-13(4)10-14/h7-10,12,15-18H,6,11H2,1-5H3,(H,21,24)(H,22,23)/t15-,16+,17+,18+/m0/s1
InChIKeyWYQCQMUFVKEPPF-BSDSXHPESA-N
MW362.47 g/mol
LogP2.06
Rot. Bonds8

About N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 124741877) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID124741877
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCCO[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@H]1OC
InChIInChI=1S/C20H30N2O4/c1-6-26-16-11-15(18(16)25-5)21-20(24)17(12(2)3)22-19(23)14-9-7-8-13(4)10-14/h7-10,12,15-18H,6,11H2,1-5H3,(H,21,24)(H,22,23)/t15-,16+,17+,18+/m0/s1
InChIKeyWYQCQMUFVKEPPF-BSDSXHPESA-N
XLogP2.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(4-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 112816379
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CID 120675496
N-[1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 111661353
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46476036
N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
N-[1-[4-(cyclopropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46553767
N-[1-(2-ethoxy-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
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3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 124741877) is N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is CCO[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)[C@H]1OC.
What is the InChIKey of N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is WYQCQMUFVKEPPF-BSDSXHPESA-N. The full InChI is InChI=1S/C20H30N2O4/c1-6-26-16-11-15(18(16)25-5)21-20(24)17(12(2)3)22-19(23)14-9-7-8-13(4)10-14/h7-10,12,15-18H,6,11H2,1-5H3,(H,21,24)(H,22,23)/t15-,16+,17+,18+/m0/s1.
What are the key properties of N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 124741877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).