N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide

C23H29N3O4 — CID 4948474

IUPACN-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-4-5-21(27)24-19-10-6-17(7-11-19)22(28)25-26-23(29)18-8-12-20(13-9-18)30-15-14-16(2)3/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyPSSDKRFTFWOBAX-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.92
Rot. Bonds9

About N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide

N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide (PubChem CID 4948474) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
PubChem CID4948474
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-4-5-21(27)24-19-10-6-17(7-11-19)22(28)25-26-23(29)18-8-12-20(13-9-18)30-15-14-16(2)3/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyPSSDKRFTFWOBAX-UHFFFAOYSA-N
XLogP3.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949545
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
4-(3-methylbutoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4949606
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
N-(4-butoxyphenyl)butanamide
CID 4939679
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide (CID 4948474) is N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide?
The InChIKey is PSSDKRFTFWOBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-5-21(27)24-19-10-6-17(7-11-19)22(28)25-26-23(29)18-8-12-20(13-9-18)30-15-14-16(2)3/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide?
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide has a molecular weight of 411.50 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide is sourced from PubChem (CID 4948474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).