N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide

C20H23N3O4 — CID 4948723

IUPACN-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-5-18(24)21-16-10-6-14(7-11-16)19(25)22-23-20(26)15-8-12-17(13-9-15)27-4-2/h6-13H,3-5H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDCUSBPIUPVESSI-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.90
Rot. Bonds7

About N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide

N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide (PubChem CID 4948723) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
PubChem CID4948723
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-5-18(24)21-16-10-6-14(7-11-16)19(25)22-23-20(26)15-8-12-17(13-9-15)27-4-2/h6-13H,3-5H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDCUSBPIUPVESSI-UHFFFAOYSA-N
XLogP2.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.90
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-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 4060456
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide
CID 17227656
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
CID 1011747
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953184
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N-(4-butoxyphenyl)butanamide
CID 4939679
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide (CID 4948723) is N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
The InChIKey is DCUSBPIUPVESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-5-18(24)21-16-10-6-14(7-11-16)19(25)22-23-20(26)15-8-12-17(13-9-15)27-4-2/h6-13H,3-5H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide has a molecular weight of 369.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide is sourced from PubChem (CID 4948723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).