2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide

C22H28N4O3 — CID 10200785

IUPAC2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide
SMILES[H]/N=C(\N)c1cccc(OC(CCC)C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-2-4-20(29-19-6-3-5-16(15-19)21(23)24)22(27)25-17-7-9-18(10-8-17)26-11-13-28-14-12-26/h3,5-10,15,20H,2,4,11-14H2,1H3,(H3,23,24)(H,25,27)
InChIKeyJAJNKZVCPVCBGY-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.99
Rot. Bonds8

About 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide

2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide (PubChem CID 10200785) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide
PubChem CID10200785
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide
SMILES[H]/N=C(\N)c1cccc(OC(CCC)C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-2-4-20(29-19-6-3-5-16(15-19)21(23)24)22(27)25-17-7-9-18(10-8-17)26-11-13-28-14-12-26/h3,5-10,15,20H,2,4,11-14H2,1H3,(H3,23,24)(H,25,27)
InChIKeyJAJNKZVCPVCBGY-UHFFFAOYSA-N
XLogP2.99
TPSA100.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamimidoylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 10223170
2-(3-carbamimidoylphenoxy)-N-[3-methyl-4-(2-oxoazepan-1-yl)phenyl]pentanamide
CID 69338531
2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 10297265
methyl 3-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7989999
ethyl N-[3-[1-oxo-1-[4-(2-oxopiperidin-1-yl)anilino]pentan-2-yl]oxybenzenecarboximidoyl]carbamate
CID 173161311
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723845
2-(3-carbamimidoylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide;methyl (4-nitrophenyl) carbonate;methyl N-[3-[1-oxo-1-[4-(2-oxopiperidin-1-yl)anilino]pentan-2-yl]oxybenzenecarboximidoyl]carbamate
CID 159298852
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7149760
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
[(Z)-[amino-[3-[1-oxo-1-[4-(2-oxopiperidin-1-yl)anilino]pentan-2-yl]oxyphenyl]methylidene]amino] methyl carbonate
CID 58962780
(2R)-2-(3-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7781817
[1-(3-carbamimidoylphenoxy)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl] acetate
CID 141059156

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide?
The IUPAC name of 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide (CID 10200785) is 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide.
What is the SMILES notation for 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide?
The canonical SMILES for 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide is [H]/N=C(\N)c1cccc(OC(CCC)C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide?
The InChIKey is JAJNKZVCPVCBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-4-20(29-19-6-3-5-16(15-19)21(23)24)22(27)25-17-7-9-18(10-8-17)26-11-13-28-14-12-26/h3,5-10,15,20H,2,4,11-14H2,1H3,(H3,23,24)(H,25,27).
What are the key properties of 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide?
2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide has a molecular weight of 396.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide is sourced from PubChem (CID 10200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).