1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride

C16H22ClN3O — CID 134126097

IUPAC1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
SMILESCN(C)CCCNC(=O)Nc1cccc2ccccc12.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-19(2)12-6-11-17-16(20)18-15-10-5-8-13-7-3-4-9-14(13)15;/h3-5,7-10H,6,11-12H2,1-2H3,(H2,17,18,20);1H
InChIKeyHRGUYLZSRHKPMG-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.33
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride

1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride (PubChem CID 134126097) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
PubChem CID134126097
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
SMILESCN(C)CCCNC(=O)Nc1cccc2ccccc12.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-19(2)12-6-11-17-16(20)18-15-10-5-8-13-7-3-4-9-14(13)15;/h3-5,7-10H,6,11-12H2,1-2H3,(H2,17,18,20);1H
InChIKeyHRGUYLZSRHKPMG-UHFFFAOYSA-N
XLogP3.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
3-[3-(dimethylamino)propylcarbamoylamino]-2-methylbenzoic acid
CID 62948260
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
2-[2-[3-(dimethylamino)propylcarbamoylamino]phenyl]benzoic acid
CID 70114830
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
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-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride (CID 134126097) is 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride is CN(C)CCCNC(=O)Nc1cccc2ccccc12.Cl.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride?
The InChIKey is HRGUYLZSRHKPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.ClH/c1-19(2)12-6-11-17-16(20)18-15-10-5-8-13-7-3-4-9-14(13)15;/h3-5,7-10H,6,11-12H2,1-2H3,(H2,17,18,20);1H.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride?
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride is sourced from PubChem (CID 134126097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).