3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide

C15H23N3O2 — CID 119873635

IUPAC3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-11(16)10-15(19)18-13-4-2-12(3-5-13)17-14-6-8-20-9-7-14/h2-5,11,14,17H,6-10,16H2,1H3,(H,18,19)
InChIKeyZLJORRFCFGPJRN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide

3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide (PubChem CID 119873635) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide
PubChem CID119873635
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-11(16)10-15(19)18-13-4-2-12(3-5-13)17-14-6-8-20-9-7-14/h2-5,11,14,17H,6-10,16H2,1H3,(H,18,19)
InChIKeyZLJORRFCFGPJRN-UHFFFAOYSA-N
XLogP1.95
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide
CID 75381420
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
4-[4-(3-methylbutanoylamino)anilino]cyclohexane-1-carboxylic acid
CID 122029485
2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
CID 55200964
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide (CID 119873635) is 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide is CC(N)CC(=O)Nc1ccc(NC2CCOCC2)cc1.
What is the InChIKey of 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide?
The InChIKey is ZLJORRFCFGPJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(16)10-15(19)18-13-4-2-12(3-5-13)17-14-6-8-20-9-7-14/h2-5,11,14,17H,6-10,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide?
3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide is sourced from PubChem (CID 119873635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).