N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide

C14H24N2O3 — CID 104892008

IUPACN-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
SMILESCC(NC(CCO)C(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-10(2)13(6-7-17)16-11(3)14(18)15-9-12-5-4-8-19-12/h4-5,8,10-11,13,16-17H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyIXRPUCHQMPLFSW-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide

N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide (PubChem CID 104892008) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
PubChem CID104892008
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
SMILESCC(NC(CCO)C(C)C)C(=O)NCc1ccco1
InChIInChI=1S/C14H24N2O3/c1-10(2)13(6-7-17)16-11(3)14(18)15-9-12-5-4-8-19-12/h4-5,8,10-11,13,16-17H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyIXRPUCHQMPLFSW-UHFFFAOYSA-N
XLogP1.28
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 83818885
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2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
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(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
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N-(furan-2-ylmethyl)-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396718
N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401992
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 113494652
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103750763

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide (CID 104892008) is N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide is CC(NC(CCO)C(C)C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide?
The InChIKey is IXRPUCHQMPLFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)13(6-7-17)16-11(3)14(18)15-9-12-5-4-8-19-12/h4-5,8,10-11,13,16-17H,6-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide?
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide has a molecular weight of 268.36 g/mol, XLogP of 1.28, 8 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-hydroxy-4-methylpentan-3-yl)amino]propanamide is sourced from PubChem (CID 104892008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).