N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide

C16H26N2O3 — CID 103966369

IUPACN-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide
SMILESCC(NCC1(CO)CCCCC1)C(=O)NCc1ccco1
InChIInChI=1S/C16H26N2O3/c1-13(15(20)17-10-14-6-5-9-21-14)18-11-16(12-19)7-3-2-4-8-16/h5-6,9,13,18-19H,2-4,7-8,10-12H2,1H3,(H,17,20)
InChIKeyPTTGAQSBYFSSKX-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.82
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide

N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide (PubChem CID 103966369) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide
PubChem CID103966369
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide
SMILESCC(NCC1(CO)CCCCC1)C(=O)NCc1ccco1
InChIInChI=1S/C16H26N2O3/c1-13(15(20)17-10-14-6-5-9-21-14)18-11-16(12-19)7-3-2-4-8-16/h5-6,9,13,18-19H,2-4,7-8,10-12H2,1H3,(H,17,20)
InChIKeyPTTGAQSBYFSSKX-UHFFFAOYSA-N
XLogP1.82
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 78915193
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 81039089
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide (CID 103966369) is N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide is CC(NCC1(CO)CCCCC1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
The InChIKey is PTTGAQSBYFSSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(15(20)17-10-14-6-5-9-21-14)18-11-16(12-19)7-3-2-4-8-16/h5-6,9,13,18-19H,2-4,7-8,10-12H2,1H3,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanamide is sourced from PubChem (CID 103966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).