1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea

C19H34N4O — CID 87000345

IUPAC1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C19H34N4O/c1-15(2)11-18(14-23(5)6)21-19(24)20-12-16-7-9-17(10-8-16)13-22(3)4/h7-10,15,18H,11-14H2,1-6H3,(H2,20,21,24)
InChIKeyPDKPLNBGRYXXJN-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.52
Rot. Bonds9

About 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea

1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea (PubChem CID 87000345) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
PubChem CID87000345
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C19H34N4O/c1-15(2)11-18(14-23(5)6)21-19(24)20-12-16-7-9-17(10-8-16)13-22(3)4/h7-10,15,18H,11-14H2,1-6H3,(H2,20,21,24)
InChIKeyPDKPLNBGRYXXJN-UHFFFAOYSA-N
XLogP2.52
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-(1-cyclopropylethyl)-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
CID 47221353
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86970383
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 87004096
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 60544381
4-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]benzoic acid
CID 82938801
4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
CID 43747152
4-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoylamino]-2-hydroxybutanoic acid
CID 107839083
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86994180
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978891
1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-phenylsulfanylethyl)urea
CID 86925125

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea?
The IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea (CID 87000345) is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea is CC(C)CC(CN(C)C)NC(=O)NCc1ccc(CN(C)C)cc1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea?
The InChIKey is PDKPLNBGRYXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-15(2)11-18(14-23(5)6)21-19(24)20-12-16-7-9-17(10-8-16)13-22(3)4/h7-10,15,18H,11-14H2,1-6H3,(H2,20,21,24).
What are the key properties of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea?
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea has a molecular weight of 334.51 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea is sourced from PubChem (CID 87000345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).