1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea

C19H25N3O2 — CID 138738122

IUPAC1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
SMILESCNCCC(Oc1ccccc1NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-20-14-13-17(15-9-5-4-6-10-15)24-18-12-8-7-11-16(18)21-19(23)22(2)3/h4-12,17,20H,13-14H2,1-3H3,(H,21,23)
InChIKeyVRMGMYRSLRVFCU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.51
Rot. Bonds7

About 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea

1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea (PubChem CID 138738122) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
PubChem CID138738122
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
SMILESCNCCC(Oc1ccccc1NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-20-14-13-17(15-9-5-4-6-10-15)24-18-12-8-7-11-16(18)21-19(23)22(2)3/h4-12,17,20H,13-14H2,1-3H3,(H,21,23)
InChIKeyVRMGMYRSLRVFCU-UHFFFAOYSA-N
XLogP3.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
1-benzyl-N-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]piperidine-4-carboxamide
CID 146308638
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea (CID 138738122) is 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea is CNCCC(Oc1ccccc1NC(=O)N(C)C)c1ccccc1.
What is the InChIKey of 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea?
The InChIKey is VRMGMYRSLRVFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-20-14-13-17(15-9-5-4-6-10-15)24-18-12-8-7-11-16(18)21-19(23)22(2)3/h4-12,17,20H,13-14H2,1-3H3,(H,21,23).
What are the key properties of 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea?
1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea is sourced from PubChem (CID 138738122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).