N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide

C20H23N3O4 — CID 1011747

IUPACN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-4-18(24)21-16-9-7-15(8-10-16)20(26)23-22-19(25)13-14-5-11-17(27-2)12-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDCKAUEQHEFEIAG-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.44
Rot. Bonds7

About N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide

N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide (PubChem CID 1011747) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
PubChem CID1011747
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-4-18(24)21-16-9-7-15(8-10-16)20(26)23-22-19(25)13-14-5-11-17(27-2)12-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyDCKAUEQHEFEIAG-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[4-[[[2-(4-chlorophenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide
CID 4937156
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide (CID 1011747) is N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide?
The InChIKey is DCKAUEQHEFEIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-4-18(24)21-16-9-7-15(8-10-16)20(26)23-22-19(25)13-14-5-11-17(27-2)12-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide?
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide has a molecular weight of 369.42 g/mol, XLogP of 2.44, 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-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide is sourced from PubChem (CID 1011747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).