N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C22H31NO3 — CID 3603800

IUPACN-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H31NO3/c1-16(2)21(22-7-6-14-25-22)12-13-23(18(5)24)15-19-8-10-20(11-9-19)26-17(3)4/h6-11,14,16-17,21H,12-13,15H2,1-5H3
InChIKeyWZZSCTHMUHIZED-UHFFFAOYSA-N
MW357.49 g/mol
LogP5.25
Rot. Bonds9

About N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 3603800) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID3603800
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC NameN-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H31NO3/c1-16(2)21(22-7-6-14-25-22)12-13-23(18(5)24)15-19-8-10-20(11-9-19)26-17(3)4/h6-11,14,16-17,21H,12-13,15H2,1-5H3
InChIKeyWZZSCTHMUHIZED-UHFFFAOYSA-N
XLogP5.25
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (4Z)-4-(furan-2-ylmethylidene)-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 1812398
1-(4-Methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
N-(furan-2-ylmethyl)-N-(4-methylbenzyl)-2-[4-(propan-2-yl)phenoxy]acetamide
CID 16013108
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N,N-diethylbenzamide
CID 44275619
3-Furan-2-yl-N-[2-(4-methoxy-phenyl)-ethyl]-acrylamide
CID 963760
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2929761
3-methoxy-2-(4-methoxybenzyl)-2,3-dihydro-1H-isoindol-1-one
CID 3653878
N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
CID 3781827
[1-(3-Furoyl)-3-piperidinyl](3-isopropoxyphenyl)methanone
CID 16189901
1-(3-Isopropoxybenzoyl)pyrrolidine
CID 874697
1-{3-[(4-Ethoxyphenoxy)methyl]benzoyl}pyrrolidine
CID 893055
3-butoxy-N-(furan-2-ylmethyl)benzamide
CID 3236227

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 3603800) is N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is WZZSCTHMUHIZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-16(2)21(22-7-6-14-25-22)12-13-23(18(5)24)15-19-8-10-20(11-9-19)26-17(3)4/h6-11,14,16-17,21H,12-13,15H2,1-5H3.
What are the key properties of N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 357.49 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 3603800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).