1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea

C17H35N3O2 — CID 111542851

IUPAC1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCC(C)N(CCCNC(=O)NCC1(O)CCCCC1)C(C)C
InChIInChI=1S/C17H35N3O2/c1-14(2)20(15(3)4)12-8-11-18-16(21)19-13-17(22)9-6-5-7-10-17/h14-15,22H,5-13H2,1-4H3,(H2,18,19,21)
InChIKeyHIKIVYDMFPUXFS-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.49
Rot. Bonds8

About 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea

1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 111542851) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID111542851
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCC(C)N(CCCNC(=O)NCC1(O)CCCCC1)C(C)C
InChIInChI=1S/C17H35N3O2/c1-14(2)20(15(3)4)12-8-11-18-16(21)19-13-17(22)9-6-5-7-10-17/h14-15,22H,5-13H2,1-4H3,(H2,18,19,21)
InChIKeyHIKIVYDMFPUXFS-UHFFFAOYSA-N
XLogP2.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111435245
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104207
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438629
1-[(1-hydroxycyclobutyl)methyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 111438270
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104065
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 121499826

Frequently Asked Questions

What is the IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 111542851) is 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea is CC(C)N(CCCNC(=O)NCC1(O)CCCCC1)C(C)C.
What is the InChIKey of 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is HIKIVYDMFPUXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-14(2)20(15(3)4)12-8-11-18-16(21)19-13-17(22)9-6-5-7-10-17/h14-15,22H,5-13H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 313.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111542851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).