N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide

C20H23N3O4 — CID 1013803

IUPACN-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-4-18(24)21-16-9-7-15(8-10-16)20(26)23-22-19(25)12-27-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMTIUZLUDUGVTIW-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.49
Rot. Bonds6

About N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide

N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide (PubChem CID 1013803) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
PubChem CID1013803
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-4-18(24)21-16-9-7-15(8-10-16)20(26)23-22-19(25)12-27-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMTIUZLUDUGVTIW-UHFFFAOYSA-N
XLogP2.49
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide (CID 1013803) is N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
The InChIKey is MTIUZLUDUGVTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-4-18(24)21-16-9-7-15(8-10-16)20(26)23-22-19(25)12-27-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide?
N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide has a molecular weight of 369.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 1013803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).