1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide

C22H33N3O3 — CID 18200139

IUPAC1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1
InChIInChI=1S/C22H33N3O3/c1-21(2,3)24-19(26)16-22(10-4-5-11-22)20(27)23-17-6-8-18(9-7-17)25-12-14-28-15-13-25/h6-9H,4-5,10-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyWJZGAOUVCMZJOM-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.33
Rot. Bonds5

About 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide

1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide (PubChem CID 18200139) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
PubChem CID18200139
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1
InChIInChI=1S/C22H33N3O3/c1-21(2,3)24-19(26)16-22(10-4-5-11-22)20(27)23-17-6-8-18(9-7-17)25-12-14-28-15-13-25/h6-9H,4-5,10-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyWJZGAOUVCMZJOM-UHFFFAOYSA-N
XLogP3.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649192
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 126817334
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 46684781
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide (CID 18200139) is 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide is CC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1.
What is the InChIKey of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
The InChIKey is WJZGAOUVCMZJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-21(2,3)24-19(26)16-22(10-4-5-11-22)20(27)23-17-6-8-18(9-7-17)25-12-14-28-15-13-25/h6-9H,4-5,10-16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide?
1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 18200139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).