1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea

C22H25N3O — CID 18153434

IUPAC1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
SMILESCN(C)C(CNC(=O)Nc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C22H25N3O/c1-25(2)19(15-17-9-4-3-5-10-17)16-23-22(26)24-21-14-8-12-18-11-6-7-13-20(18)21/h3-14,19H,15-16H2,1-2H3,(H2,23,24,26)
InChIKeyLCRLGPIPGZKGPS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.13
Rot. Bonds6

About 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea

1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea (PubChem CID 18153434) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
PubChem CID18153434
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
SMILESCN(C)C(CNC(=O)Nc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C22H25N3O/c1-25(2)19(15-17-9-4-3-5-10-17)16-23-22(26)24-21-14-8-12-18-11-6-7-13-20(18)21/h3-14,19H,15-16H2,1-2H3,(H2,23,24,26)
InChIKeyLCRLGPIPGZKGPS-UHFFFAOYSA-N
XLogP4.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 42959034
1-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-(3-nitrophenyl)urea
CID 31772940
ethyl 2-benzyl-3-(naphthalen-1-ylamino)-3-oxopropanoate
CID 2836856
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea (CID 18153434) is 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea is CN(C)C(CNC(=O)Nc1cccc2ccccc12)Cc1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea?
The InChIKey is LCRLGPIPGZKGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-25(2)19(15-17-9-4-3-5-10-17)16-23-22(26)24-21-14-8-12-18-11-6-7-13-20(18)21/h3-14,19H,15-16H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea?
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea has a molecular weight of 347.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 18153434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).