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

C20H29NO4 — CID 6613210

IUPACN-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)CCCC(C)(C)O)cc2ccoc12
InChIInChI=1S/C20H29NO4/c1-14(6-5-10-20(2,3)23)21-18(22)8-7-15-12-16-9-11-25-19(16)17(13-15)24-4/h9,11-14,23H,5-8,10H2,1-4H3,(H,21,22)
InChIKeyLOAHFDMVJRKQQI-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.82
Rot. Bonds9

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

N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide (PubChem CID 6613210) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide
PubChem CID6613210
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC NameN-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)CCCC(C)(C)O)cc2ccoc12
InChIInChI=1S/C20H29NO4/c1-14(6-5-10-20(2,3)23)21-18(22)8-7-15-12-16-9-11-25-19(16)17(13-15)24-4/h9,11-14,23H,5-8,10H2,1-4H3,(H,21,22)
InChIKeyLOAHFDMVJRKQQI-UHFFFAOYSA-N
XLogP3.82
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-hydroxy-6-methylheptan-2-yl)-3-[2-(3-hydroxypropyl)-7-methoxy-1-benzofuran-5-yl]propanamide
CID 6613162
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
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
N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
CID 60566570
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 25494124
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide?
The IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide (CID 6613210) is N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide?
The canonical SMILES for N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide is COc1cc(CCC(=O)NC(C)CCCC(C)(C)O)cc2ccoc12.
What is the InChIKey of N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide?
The InChIKey is LOAHFDMVJRKQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(6-5-10-20(2,3)23)21-18(22)8-7-15-12-16-9-11-25-19(16)17(13-15)24-4/h9,11-14,23H,5-8,10H2,1-4H3,(H,21,22).
What are the key properties of N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide?
N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-6-methylheptan-2-yl)-3-(7-methoxy-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 6613210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).