N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide

C22H27N3O4 — CID 4948430

IUPACN-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCC)cc1
InChIInChI=1S/C22H27N3O4/c1-3-5-10-20(26)23-17-13-11-16(12-14-17)21(27)24-25-22(28)18-8-6-7-9-19(18)29-15-4-2/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyQLEMOWYTVJFMNG-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.68
Rot. Bonds9

About N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide

N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide (PubChem CID 4948430) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
PubChem CID4948430
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCC)cc1
InChIInChI=1S/C22H27N3O4/c1-3-5-10-20(26)23-17-13-11-16(12-14-17)21(27)24-25-22(28)18-8-6-7-9-19(18)29-15-4-2/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyQLEMOWYTVJFMNG-UHFFFAOYSA-N
XLogP3.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.68
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-(butanoylamino)benzoyl]amino]carbamothioyl]-2-pentoxybenzamide
CID 4947354
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926318
N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17122839
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4943982
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-[4-[[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 17350925
N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-propoxybenzamide
CID 4939190

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide (CID 4948430) is N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2OCCC)cc1.
What is the InChIKey of N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide?
The InChIKey is QLEMOWYTVJFMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-5-10-20(26)23-17-13-11-16(12-14-17)21(27)24-25-22(28)18-8-6-7-9-19(18)29-15-4-2/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide?
N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide has a molecular weight of 397.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4948430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).