N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide

C22H33N3O5 — CID 48860718

IUPACN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C22H33N3O5/c1-17(30-16-20-6-3-11-29-20)22(27)23-15-18-4-2-5-19(14-18)24-21(26)7-8-25-9-12-28-13-10-25/h2,4-5,14,17,20H,3,6-13,15-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyWTZMIVDYCOOJDO-UHFFFAOYSA-N
MW419.52 g/mol
LogP1.55
Rot. Bonds10

About N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide (PubChem CID 48860718) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide
PubChem CID48860718
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCO1)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C22H33N3O5/c1-17(30-16-20-6-3-11-29-20)22(27)23-15-18-4-2-5-19(14-18)24-21(26)7-8-25-9-12-28-13-10-25/h2,4-5,14,17,20H,3,6-13,15-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyWTZMIVDYCOOJDO-UHFFFAOYSA-N
XLogP1.55
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
CID 119849198
N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111000690
N-[3-[[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111724144
3-morpholin-4-yl-N-[3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide;dihydrochloride
CID 119849221
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[3-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111890435
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide (CID 48860718) is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide is CC(OCC1CCCO1)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is WTZMIVDYCOOJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-17(30-16-20-6-3-11-29-20)22(27)23-15-18-4-2-5-19(14-18)24-21(26)7-8-25-9-12-28-13-10-25/h2,4-5,14,17,20H,3,6-13,15-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide?
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 419.52 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 48860718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).