N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide

C19H29N3O4 — CID 47065380

IUPACN-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide
SMILESCC(Nc1ccc(OCC2CCCO2)cc1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C19H29N3O4/c1-13(17(23)21-18(24)22-19(2,3)4)20-14-7-9-15(10-8-14)26-12-16-6-5-11-25-16/h7-10,13,16,20H,5-6,11-12H2,1-4H3,(H2,21,22,23,24)
InChIKeyFLHOBUMWEZKMBB-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.67
Rot. Bonds6

About N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide

N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide (PubChem CID 47065380) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide
PubChem CID47065380
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide
SMILESCC(Nc1ccc(OCC2CCCO2)cc1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C19H29N3O4/c1-13(17(23)21-18(24)22-19(2,3)4)20-14-7-9-15(10-8-14)26-12-16-6-5-11-25-16/h7-10,13,16,20H,5-6,11-12H2,1-4H3,(H2,21,22,23,24)
InChIKeyFLHOBUMWEZKMBB-UHFFFAOYSA-N
XLogP2.67
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[[(2R)-oxolan-2-yl]methoxy]anilino]propanamide
CID 94642959
2,2-dimethyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]propanamide
CID 8544018
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
CID 94642990
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8562904
2-amino-3-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide;hydrochloride
CID 119712748
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide (CID 47065380) is N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide is CC(Nc1ccc(OCC2CCCO2)cc1)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide?
The InChIKey is FLHOBUMWEZKMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(17(23)21-18(24)22-19(2,3)4)20-14-7-9-15(10-8-14)26-12-16-6-5-11-25-16/h7-10,13,16,20H,5-6,11-12H2,1-4H3,(H2,21,22,23,24).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide?
N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide has a molecular weight of 363.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(oxolan-2-ylmethoxy)anilino]propanamide is sourced from PubChem (CID 47065380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).