1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

C17H29N3O2 — CID 111414440

IUPAC1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
SMILESCc1cccnc1C(NC(=O)NCC(O)CC(C)C)C(C)C
InChIInChI=1S/C17H29N3O2/c1-11(2)9-14(21)10-19-17(22)20-15(12(3)4)16-13(5)7-6-8-18-16/h6-8,11-12,14-15,21H,9-10H2,1-5H3,(H2,19,20,22)
InChIKeyQXTVECDPTTUJNU-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.79
Rot. Bonds7

About 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (PubChem CID 111414440) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
PubChem CID111414440
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
SMILESCc1cccnc1C(NC(=O)NCC(O)CC(C)C)C(C)C
InChIInChI=1S/C17H29N3O2/c1-11(2)9-14(21)10-19-17(22)20-15(12(3)4)16-13(5)7-6-8-18-16/h6-8,11-12,14-15,21H,9-10H2,1-5H3,(H2,19,20,22)
InChIKeyQXTVECDPTTUJNU-UHFFFAOYSA-N
XLogP2.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414441
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414422
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
N-(4-bromo-2-methylphenyl)-3-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoylamino]propanamide
CID 86960177
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 86960090
1-(1-adamantyl)-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 99808511
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 110922336
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111631045
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953880

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (CID 111414440) is 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is Cc1cccnc1C(NC(=O)NCC(O)CC(C)C)C(C)C.
What is the InChIKey of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
The InChIKey is QXTVECDPTTUJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11(2)9-14(21)10-19-17(22)20-15(12(3)4)16-13(5)7-6-8-18-16/h6-8,11-12,14-15,21H,9-10H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea has a molecular weight of 307.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is sourced from PubChem (CID 111414440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).