1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea

C21H30N4O2 — CID 71879731

IUPAC1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea
SMILESCOc1nc(C)cc(C)c1CNC(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C21H30N4O2/c1-15-11-16(2)24-20(27-5)19(15)14-23-21(26)22-13-18(25(3)4)12-17-9-7-6-8-10-17/h6-11,18H,12-14H2,1-5H3,(H2,22,23,26)
InChIKeyRZTSQONSLQLOJL-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.68
Rot. Bonds8

About 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea

1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea (PubChem CID 71879731) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea
PubChem CID71879731
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea
SMILESCOc1nc(C)cc(C)c1CNC(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C21H30N4O2/c1-15-11-16(2)24-20(27-5)19(15)14-23-21(26)22-13-18(25(3)4)12-17-9-7-6-8-10-17/h6-11,18H,12-14H2,1-5H3,(H2,22,23,26)
InChIKeyRZTSQONSLQLOJL-UHFFFAOYSA-N
XLogP2.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485
1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91763538
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea (CID 71879731) is 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea is COc1nc(C)cc(C)c1CNC(=O)NCC(Cc1ccccc1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea?
The InChIKey is RZTSQONSLQLOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-11-16(2)24-20(27-5)19(15)14-23-21(26)22-13-18(25(3)4)12-17-9-7-6-8-10-17/h6-11,18H,12-14H2,1-5H3,(H2,22,23,26).
What are the key properties of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea?
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea has a molecular weight of 370.50 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 71879731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).