N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide

C22H34N2O5 — CID 91902581

IUPACN-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCCC(=O)NC2CCCC2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C22H34N2O5/c1-15(2)24(12-8-11-20(25)23-17-9-6-7-10-17)22(26)16-13-18(27-3)21(29-5)19(14-16)28-4/h13-15,17H,6-12H2,1-5H3,(H,23,25)
InChIKeyJJRGOLBIAWGAPH-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.40
Rot. Bonds10

About N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide

N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide (PubChem CID 91902581) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide
PubChem CID91902581
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC NameN-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCCC(=O)NC2CCCC2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C22H34N2O5/c1-15(2)24(12-8-11-20(25)23-17-9-6-7-10-17)22(26)16-13-18(27-3)21(29-5)19(14-16)28-4/h13-15,17H,6-12H2,1-5H3,(H,23,25)
InChIKeyJJRGOLBIAWGAPH-UHFFFAOYSA-N
XLogP3.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
[2-(cyclopentylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 5111073
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
2,2,2-trifluoroacetic acid;3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propan-2-ylbenzamide
CID 146057250
N-cyclopropyl-4-[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]butanamide
CID 111146206
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019249
N,N-bis[(2S)-butan-2-yl]-3,4,5-trimethoxybenzamide
CID 40584793
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706439

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide (CID 91902581) is N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide is COc1cc(C(=O)N(CCCC(=O)NC2CCCC2)C(C)C)cc(OC)c1OC.
What is the InChIKey of N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide?
The InChIKey is JJRGOLBIAWGAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-15(2)24(12-8-11-20(25)23-17-9-6-7-10-17)22(26)16-13-18(27-3)21(29-5)19(14-16)28-4/h13-15,17H,6-12H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide?
N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide has a molecular weight of 406.52 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)-4-oxobutyl]-3,4,5-trimethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 91902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).