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

C16H25N3O2 — CID 111976814

IUPAC1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2(O)CCC2)c(N(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-13(14(9-12)19(2)3)10-17-15(20)18-11-16(21)7-4-8-16/h5-6,9,21H,4,7-8,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyJOHZRAFBJUDBLK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.78
Rot. Bonds5

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

1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111976814) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111976814
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCC2(O)CCC2)c(N(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-13(14(9-12)19(2)3)10-17-15(20)18-11-16(21)7-4-8-16/h5-6,9,21H,4,7-8,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyJOHZRAFBJUDBLK-UHFFFAOYSA-N
XLogP1.78
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111976809
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438029
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 75436603
N-[(1-hydroxycyclobutyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111444945
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438588
2-[[(1-hydroxycyclobutyl)methylamino]methyl]-4-methylphenol
CID 115625701
2-ethyl-N,N,5-trimethylaniline
CID 59382459
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71922829
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
1-[(1-hydroxycyclohexyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]urea
CID 110936545

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111976814) is 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is Cc1ccc(CNC(=O)NCC2(O)CCC2)c(N(C)C)c1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is JOHZRAFBJUDBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-6-13(14(9-12)19(2)3)10-17-15(20)18-11-16(21)7-4-8-16/h5-6,9,21H,4,7-8,10-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 291.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111976814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).