N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide

C15H23N3O3 — CID 60849921

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)17-9-3-4-15(20)18-12-5-7-13(8-6-12)21-10-14(16)19/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyKVFKBMBNUDWHCJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.27
Rot. Bonds9

About N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60849921) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
PubChem CID60849921
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)17-9-3-4-15(20)18-12-5-7-13(8-6-12)21-10-14(16)19/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyKVFKBMBNUDWHCJ-UHFFFAOYSA-N
XLogP1.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
CID 119281562
[4-[4-(propan-2-ylamino)butanoylamino]phenyl]methyl acetate
CID 144997484
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
2-[4-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
2-[3-[4-(propan-2-ylamino)butanoylamino]phenoxy]acetic acid
CID 63771165

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide (CID 60849921) is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is KVFKBMBNUDWHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)17-9-3-4-15(20)18-12-5-7-13(8-6-12)21-10-14(16)19/h5-8,11,17H,3-4,9-10H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 293.37 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60849921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).