N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide

C21H25N3O4 — CID 4928641

IUPACN-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-5-19(25)22-17-10-8-16(9-11-17)21(27)24-23-20(26)15(3)28-18-12-6-14(2)7-13-18/h6-13,15H,4-5H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXPNYGUCMORSNGW-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.96
Rot. Bonds7

About N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide

N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide (PubChem CID 4928641) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
PubChem CID4928641
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-5-19(25)22-17-10-8-16(9-11-17)21(27)24-23-20(26)15(3)28-18-12-6-14(2)7-13-18/h6-13,15H,4-5H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXPNYGUCMORSNGW-UHFFFAOYSA-N
XLogP2.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.96
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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Related Compounds

N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4931446
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
CID 9237602
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 46806159
4-[2-[2-(4-methylphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4928607
4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 4953821
3-methyl-N-[4-[[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]carbamoyl]phenyl]butanamide
CID 42426777
4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
CID 3631499
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]phenyl]butanamide
CID 17202560
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide (CID 4928641) is N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide?
The InChIKey is XPNYGUCMORSNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-5-19(25)22-17-10-8-16(9-11-17)21(27)24-23-20(26)15(3)28-18-12-6-14(2)7-13-18/h6-13,15H,4-5H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide?
N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide has a molecular weight of 383.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide is sourced from PubChem (CID 4928641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).