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

C21H25N3O4 — CID 4926318

IUPACN-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C21H25N3O4/c1-3-4-9-19(25)22-17-12-10-16(11-13-17)21(27)24-23-20(26)14-28-18-8-6-5-7-15(18)2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKQHRPCGMNFCALP-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.96
Rot. Bonds8

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

N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide (PubChem CID 4926318) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
PubChem CID4926318
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C21H25N3O4/c1-3-4-9-19(25)22-17-12-10-16(11-13-17)21(27)24-23-20(26)14-28-18-8-6-5-7-15(18)2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKQHRPCGMNFCALP-UHFFFAOYSA-N
XLogP2.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4948430
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
pentyl 4-[4-(2-methylphenoxy)butanoylamino]benzoate
CID 19173316
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
N-[4-[[[2-(2-methoxyphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide
CID 4506431
N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 4956680
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide (CID 4926318) is N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1.
What is the InChIKey of N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide?
The InChIKey is KQHRPCGMNFCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-4-9-19(25)22-17-12-10-16(11-13-17)21(27)24-23-20(26)14-28-18-8-6-5-7-15(18)2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide?
N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide has a molecular weight of 383.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4926318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).