1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C18H31N3O2 — CID 86993780

IUPAC1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NCCCN(C)C2CCCCC2)o1
InChIInChI=1S/C18H31N3O2/c1-14-10-11-17(23-14)15(2)20-18(22)19-12-7-13-21(3)16-8-5-4-6-9-16/h10-11,15-16H,4-9,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyDVTICWCGDQXEOG-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.60
Rot. Bonds7

About 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 86993780) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID86993780
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NCCCN(C)C2CCCCC2)o1
InChIInChI=1S/C18H31N3O2/c1-14-10-11-17(23-14)15(2)20-18(22)19-12-7-13-21(3)16-8-5-4-6-9-16/h10-11,15-16H,4-9,12-13H2,1-3H3,(H2,19,20,22)
InChIKeyDVTICWCGDQXEOG-UHFFFAOYSA-N
XLogP3.60
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
1-[3-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propyl]piperidine-4-carboxamide
CID 71895053
1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026796
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
1-benzyl-3-[3-[cyclohexyl(methyl)amino]propyl]urea
CID 86924684
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 51116321

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 86993780) is 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)NC(=O)NCCCN(C)C2CCCCC2)o1.
What is the InChIKey of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is DVTICWCGDQXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14-10-11-17(23-14)15(2)20-18(22)19-12-7-13-21(3)16-8-5-4-6-9-16/h10-11,15-16H,4-9,12-13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 321.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 86993780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).