N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide

C18H30N4O3 — CID 60547761

IUPACN-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide
SMILESCN(C)C(CNC(=O)NCCC(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C18H30N4O3/c1-22(2)15(16-9-6-12-25-16)13-20-18(24)19-11-10-17(23)21-14-7-4-3-5-8-14/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3,(H,21,23)(H2,19,20,24)
InChIKeyXFOBXXVISKFXMJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.02
Rot. Bonds8

About N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide

N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide (PubChem CID 60547761) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide
PubChem CID60547761
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide
SMILESCN(C)C(CNC(=O)NCCC(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C18H30N4O3/c1-22(2)15(16-9-6-12-25-16)13-20-18(24)19-11-10-17(23)21-14-7-4-3-5-8-14/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3,(H,21,23)(H2,19,20,24)
InChIKeyXFOBXXVISKFXMJ-UHFFFAOYSA-N
XLogP2.02
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
N-cyclohexyl-3-[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111009032
tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate
CID 95699804
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621230
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(4-methylphenoxy)propyl]urea
CID 95695143
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 94154078
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide (CID 60547761) is N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide is CN(C)C(CNC(=O)NCCC(=O)NC1CCCCC1)c1ccco1.
What is the InChIKey of N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide?
The InChIKey is XFOBXXVISKFXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-22(2)15(16-9-6-12-25-16)13-20-18(24)19-11-10-17(23)21-14-7-4-3-5-8-14/h6,9,12,14-15H,3-5,7-8,10-11,13H2,1-2H3,(H,21,23)(H2,19,20,24).
What are the key properties of N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide?
N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide has a molecular weight of 350.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide is sourced from PubChem (CID 60547761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).