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

C27H29N3O4 — CID 4956680

IUPACN-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-2-3-9-25(31)28-23-14-10-21(11-15-23)26(32)29-30-27(33)22-12-16-24(17-13-22)34-19-18-20-7-5-4-6-8-20/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHQNFBWFPODEYGV-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.51
Rot. Bonds10

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

N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide (PubChem CID 4956680) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
PubChem CID4956680
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-2-3-9-25(31)28-23-14-10-21(11-15-23)26(32)29-30-27(33)22-12-16-24(17-13-22)34-19-18-20-7-5-4-6-8-20/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyHQNFBWFPODEYGV-UHFFFAOYSA-N
XLogP4.51
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.51
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

4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
4-heptoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067139
N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-propoxybenzamide
CID 4939190
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
4-hexoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4934688
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953184

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide (CID 4956680) is N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide?
The InChIKey is HQNFBWFPODEYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-2-3-9-25(31)28-23-14-10-21(11-15-23)26(32)29-30-27(33)22-12-16-24(17-13-22)34-19-18-20-7-5-4-6-8-20/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide?
N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide has a molecular weight of 459.55 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4956680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).