1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea

C19H34N4O — CID 86999370

IUPAC1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
SMILESCC(C)CN(CCN(C)C)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C19H34N4O/c1-16(2)15-23(13-12-21(3)4)19(24)20-14-18(22(5)6)17-10-8-7-9-11-17/h7-11,16,18H,12-15H2,1-6H3,(H,20,24)
InChIKeyJAYXTRHCSZQBLA-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.52
Rot. Bonds9

About 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea

1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea (PubChem CID 86999370) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
PubChem CID86999370
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
SMILESCC(C)CN(CCN(C)C)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C19H34N4O/c1-16(2)15-23(13-12-21(3)4)19(24)20-14-18(22(5)6)17-10-8-7-9-11-17/h7-11,16,18H,12-15H2,1-6H3,(H,20,24)
InChIKeyJAYXTRHCSZQBLA-UHFFFAOYSA-N
XLogP2.52
TPSA38.82 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-Benzylimidazolidin-2-one
CID 231403
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-[4-(Dimethylamino)-4-phenylcyclohexyl]-3-(3-phenylpropyl)urea;hydrochloride
CID 69218851
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
N-(tert-butyl)-N'-phenethylurea
CID 306674

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea (CID 86999370) is 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea is CC(C)CN(CCN(C)C)C(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea?
The InChIKey is JAYXTRHCSZQBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-16(2)15-23(13-12-21(3)4)19(24)20-14-18(22(5)6)17-10-8-7-9-11-17/h7-11,16,18H,12-15H2,1-6H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea?
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea has a molecular weight of 334.51 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea is sourced from PubChem (CID 86999370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).