1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C18H29N3O2 — CID 111104065

IUPAC1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)16-9-7-15(8-10-16)6-5-13-19-17(22)20-14-18(23)11-3-4-12-18/h7-10,23H,3-6,11-14H2,1-2H3,(H2,19,20,22)
InChIKeyOAWWVLSXTQDFBG-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.29
Rot. Bonds7

About 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea

1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111104065) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111104065
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCN(C)c1ccc(CCCNC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-21(2)16-9-7-15(8-10-16)6-5-13-19-17(22)20-14-18(23)11-3-4-12-18/h7-10,23H,3-6,11-14H2,1-2H3,(H2,19,20,22)
InChIKeyOAWWVLSXTQDFBG-UHFFFAOYSA-N
XLogP2.29
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438588
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924358
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504886
N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
CID 111332854
1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
CID 91644552
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-nitrophenyl)butyl]urea
CID 111444253
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008
1-butyl-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38948989
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111104065) is 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CN(C)c1ccc(CCCNC(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is OAWWVLSXTQDFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-21(2)16-9-7-15(8-10-16)6-5-13-19-17(22)20-14-18(23)11-3-4-12-18/h7-10,23H,3-6,11-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 319.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111104065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).