1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C16H25N3O2 — CID 111438588

IUPAC1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCN(C)c1ccc(CCNC(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-6-4-13(5-7-14)8-11-17-15(20)18-12-16(21)9-3-10-16/h4-7,21H,3,8-12H2,1-2H3,(H2,17,18,20)
InChIKeyITCKKSHRSYFEIL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111438588) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111438588
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCN(C)c1ccc(CCNC(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-6-4-13(5-7-14)8-11-17-15(20)18-12-16(21)9-3-10-16/h4-7,21H,3,8-12H2,1-2H3,(H2,17,18,20)
InChIKeyITCKKSHRSYFEIL-UHFFFAOYSA-N
XLogP1.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104065
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505686
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-nitrophenyl)butyl]urea
CID 111444253
1-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(2-phenylethyl)urea
CID 90554297
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]thian-4-ol
CID 111436704

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111438588) is 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea is CN(C)c1ccc(CCNC(=O)NCC2(O)CCC2)cc1.
What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is ITCKKSHRSYFEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)14-6-4-13(5-7-14)8-11-17-15(20)18-12-16(21)9-3-10-16/h4-7,21H,3,8-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 291.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111438588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).