N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide

C22H27N3O4 — CID 55527219

IUPACN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H27N3O4/c26-21(9-5-15-28-19-6-2-1-3-7-19)24-17-10-12-18(13-11-17)25-22(27)23-16-20-8-4-14-29-20/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,24,26)(H2,23,25,27)
InChIKeyMQVNCQVWDHHUHB-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.78
Rot. Bonds9

About N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide

N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide (PubChem CID 55527219) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
PubChem CID55527219
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(NC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H27N3O4/c26-21(9-5-15-28-19-6-2-1-3-7-19)24-17-10-12-18(13-11-17)25-22(27)23-16-20-8-4-14-29-20/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,24,26)(H2,23,25,27)
InChIKeyMQVNCQVWDHHUHB-UHFFFAOYSA-N
XLogP3.78
TPSA88.69 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 ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
CID 112981200
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
CID 55527756
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide (CID 55527219) is N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccc(NC(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide?
The InChIKey is MQVNCQVWDHHUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-21(9-5-15-28-19-6-2-1-3-7-19)24-17-10-12-18(13-11-17)25-22(27)23-16-20-8-4-14-29-20/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,24,26)(H2,23,25,27).
What are the key properties of N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide?
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide has a molecular weight of 397.48 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 55527219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).