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

C23H27N3O2 — CID 42959034

IUPAC1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea
SMILESCN(C)CC(CNC(=O)Nc1cccc2ccccc12)C(O)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-26(2)16-19(22(27)18-10-4-3-5-11-18)15-24-23(28)25-21-14-8-12-17-9-6-7-13-20(17)21/h3-14,19,22,27H,15-16H2,1-2H3,(H2,24,25,28)
InChIKeyAEPLNSPHYKGNIV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.87
Rot. Bonds7

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

1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea (PubChem CID 42959034) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea
PubChem CID42959034
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea
SMILESCN(C)CC(CNC(=O)Nc1cccc2ccccc12)C(O)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-26(2)16-19(22(27)18-10-4-3-5-11-18)15-24-23(28)25-21-14-8-12-17-9-6-7-13-20(17)21/h3-14,19,22,27H,15-16H2,1-2H3,(H2,24,25,28)
InChIKeyAEPLNSPHYKGNIV-UHFFFAOYSA-N
XLogP3.87
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea (CID 42959034) is 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea is CN(C)CC(CNC(=O)Nc1cccc2ccccc12)C(O)c1ccccc1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea?
The InChIKey is AEPLNSPHYKGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26(2)16-19(22(27)18-10-4-3-5-11-18)15-24-23(28)25-21-14-8-12-17-9-6-7-13-20(17)21/h3-14,19,22,27H,15-16H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea?
1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea has a molecular weight of 377.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 42959034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).