N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide

C24H29N3O4 — CID 56583049

IUPACN-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide
SMILESCCCN(C(=O)CCC(=O)N1CCOc2ccccc21)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C24H29N3O4/c1-3-15-26(18(2)24(30)25-19-9-5-4-6-10-19)22(28)13-14-23(29)27-16-17-31-21-12-8-7-11-20(21)27/h4-12,18H,3,13-17H2,1-2H3,(H,25,30)
InChIKeyOBDGCBZBSHLAMH-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.46
Rot. Bonds8

About N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide

N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide (PubChem CID 56583049) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide
PubChem CID56583049
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide
SMILESCCCN(C(=O)CCC(=O)N1CCOc2ccccc21)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C24H29N3O4/c1-3-15-26(18(2)24(30)25-19-9-5-4-6-10-19)22(28)13-14-23(29)27-16-17-31-21-12-8-7-11-20(21)27/h4-12,18H,3,13-17H2,1-2H3,(H,25,30)
InChIKeyOBDGCBZBSHLAMH-UHFFFAOYSA-N
XLogP3.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide?
The IUPAC name of N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide (CID 56583049) is N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide.
What is the SMILES notation for N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide?
The canonical SMILES for N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide is CCCN(C(=O)CCC(=O)N1CCOc2ccccc21)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide?
The InChIKey is OBDGCBZBSHLAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-15-26(18(2)24(30)25-19-9-5-4-6-10-19)22(28)13-14-23(29)27-16-17-31-21-12-8-7-11-20(21)27/h4-12,18H,3,13-17H2,1-2H3,(H,25,30).
What are the key properties of N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide?
N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide has a molecular weight of 423.51 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide is sourced from PubChem (CID 56583049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).