N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide

C21H32N2O4 — CID 16722816

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
SMILESCCC(C)C(NC(=O)C1CCC1)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-5-14(2)19(23-20(24)16-7-6-8-16)21(25)22-12-11-15-9-10-17(26-3)18(13-15)27-4/h9-10,13-14,16,19H,5-8,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeySITSDIHETMBHAV-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.69
Rot. Bonds10

About N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide

N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide (PubChem CID 16722816) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
PubChem CID16722816
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
SMILESCCC(C)C(NC(=O)C1CCC1)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-5-14(2)19(23-20(24)16-7-6-8-16)21(25)22-12-11-15-9-10-17(26-3)18(13-15)27-4/h9-10,13-14,16,19H,5-8,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeySITSDIHETMBHAV-UHFFFAOYSA-N
XLogP2.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
[6-[[(2S,3R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]azanium
CID 7331148
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94456240
N-[(2R)-1-[3-(3,4-dimethoxyphenyl)propyl-methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30174089

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide (CID 16722816) is N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide is CCC(C)C(NC(=O)C1CCC1)C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide?
The InChIKey is SITSDIHETMBHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-5-14(2)19(23-20(24)16-7-6-8-16)21(25)22-12-11-15-9-10-17(26-3)18(13-15)27-4/h9-10,13-14,16,19H,5-8,11-12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 16722816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).