N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide

C23H35NO5 — CID 6613162

IUPACN-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide
SMILESCOc1cc(CCC(=O)NC(C)CCCC(C)(C)O)cc2cc(CCCO)oc12
InChIInChI=1S/C23H35NO5/c1-16(7-5-11-23(2,3)27)24-21(26)10-9-17-13-18-15-19(8-6-12-25)29-22(18)20(14-17)28-4/h13-16,25,27H,5-12H2,1-4H3,(H,24,26)
InChIKeyZLMCYHGCBWARLK-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.74
Rot. Bonds12

About N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide

N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide (PubChem CID 6613162) has the molecular formula C23H35NO5 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide.

Molecular Properties

Compound NameN-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide
PubChem CID6613162
Molecular FormulaC23H35NO5
Molecular Weight405.54 g/mol
Exact Mass405.25
IUPAC NameN-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide
SMILESCOc1cc(CCC(=O)NC(C)CCCC(C)(C)O)cc2cc(CCCO)oc12
InChIInChI=1S/C23H35NO5/c1-16(7-5-11-23(2,3)27)24-21(26)10-9-17-13-18-15-19(8-6-12-25)29-22(18)20(14-17)28-4/h13-16,25,27H,5-12H2,1-4H3,(H,24,26)
InChIKeyZLMCYHGCBWARLK-UHFFFAOYSA-N
XLogP3.74
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide
CID 6613210
3-[2-(1-hydroxycyclopentyl)-7-methoxy-1-benzofuran-5-yl]-N-(6-hydroxy-6-methylheptan-2-yl)propanamide
CID 6613130
3-(4-methoxyphenyl)propyl 5-[3-[(6-hydroxy-6-methylheptan-2-yl)amino]-3-oxopropyl]-7-methoxy-1-benzofuran-3-carboxylate
CID 6613213
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 86894232
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
N-(6-hydroxy-6-methylheptan-2-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169414908
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide?
The IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide (CID 6613162) is N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide.
What is the SMILES notation for N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide?
The canonical SMILES for N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide is COc1cc(CCC(=O)NC(C)CCCC(C)(C)O)cc2cc(CCCO)oc12.
What is the InChIKey of N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide?
The InChIKey is ZLMCYHGCBWARLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO5/c1-16(7-5-11-23(2,3)27)24-21(26)10-9-17-13-18-15-19(8-6-12-25)29-22(18)20(14-17)28-4/h13-16,25,27H,5-12H2,1-4H3,(H,24,26).
What are the key properties of N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide?
N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide has a molecular weight of 405.54 g/mol, XLogP of 3.74, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide is sourced from PubChem (CID 6613162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).