1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea

C26H29N3O3 — CID 86886404

IUPAC1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea
SMILESCN(Cc1cccc2ccccc12)C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29N3O3/c1-28(19-22-12-7-11-20-10-5-6-13-23(20)22)26(31)27-18-24(21-8-3-2-4-9-21)25(30)29-14-16-32-17-15-29/h2-13,24H,14-19H2,1H3,(H,27,31)
InChIKeyVHTHAQXBRYEACZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.62
Rot. Bonds6

About 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea

1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea (PubChem CID 86886404) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea
PubChem CID86886404
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea
SMILESCN(Cc1cccc2ccccc12)C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29N3O3/c1-28(19-22-12-7-11-20-10-5-6-13-23(20)22)26(31)27-18-24(21-8-3-2-4-9-21)25(30)29-14-16-32-17-15-29/h2-13,24H,14-19H2,1H3,(H,27,31)
InChIKeyVHTHAQXBRYEACZ-UHFFFAOYSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-naphthalen-1-ylacetamide
CID 51960254
1-benzyl-1,2-dimethyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 110951665
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86896109
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111286462
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-[4-(dimethylamino)-2-methylphenyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886318
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 6724203
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111882330
1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111099902

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea (CID 86886404) is 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea is CN(Cc1cccc2ccccc12)C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea?
The InChIKey is VHTHAQXBRYEACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-28(19-22-12-7-11-20-10-5-6-13-23(20)22)26(31)27-18-24(21-8-3-2-4-9-21)25(30)29-14-16-32-17-15-29/h2-13,24H,14-19H2,1H3,(H,27,31).
What are the key properties of 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea?
1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea has a molecular weight of 431.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 86886404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).