N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide

C24H28N4O2 — CID 17420754

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H28N4O2/c29-24(11-10-20-16-26-28(18-20)23-8-2-1-3-9-23)25-17-21-6-4-5-7-22(21)19-27-12-14-30-15-13-27/h1-9,16,18H,10-15,17,19H2,(H,25,29)
InChIKeyFDGGVPGIPYGOAP-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.95
Rot. Bonds8

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 17420754) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID17420754
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H28N4O2/c29-24(11-10-20-16-26-28(18-20)23-8-2-1-3-9-23)25-17-21-6-4-5-7-22(21)19-27-12-14-30-15-13-27/h1-9,16,18H,10-15,17,19H2,(H,25,29)
InChIKeyFDGGVPGIPYGOAP-UHFFFAOYSA-N
XLogP2.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 17420754) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is FDGGVPGIPYGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-24(11-10-20-16-26-28(18-20)23-8-2-1-3-9-23)25-17-21-6-4-5-7-22(21)19-27-12-14-30-15-13-27/h1-9,16,18H,10-15,17,19H2,(H,25,29).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 404.51 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 17420754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).