3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide

C21H27ClN2O5 — CID 60597223

IUPAC3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NC(C)C(=O)NCc2ccco2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C21H27ClN2O5/c1-13(2)7-9-29-19-17(22)10-15(11-18(19)27-4)21(26)24-14(3)20(25)23-12-16-6-5-8-28-16/h5-6,8,10-11,13-14H,7,9,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyXKUONGDKPRKXIT-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.80
Rot. Bonds10

About 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide

3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 60597223) has the molecular formula C21H27ClN2O5 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID60597223
Molecular FormulaC21H27ClN2O5
Molecular Weight422.91 g/mol
Exact Mass422.16
IUPAC Name3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NC(C)C(=O)NCc2ccco2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C21H27ClN2O5/c1-13(2)7-9-29-19-17(22)10-15(11-18(19)27-4)21(26)24-14(3)20(25)23-12-16-6-5-8-28-16/h5-6,8,10-11,13-14H,7,9,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyXKUONGDKPRKXIT-UHFFFAOYSA-N
XLogP3.80
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide with MolForge

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253753
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 31288260
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486611

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide (CID 60597223) is 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)NC(C)C(=O)NCc2ccco2)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is XKUONGDKPRKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O5/c1-13(2)7-9-29-19-17(22)10-15(11-18(19)27-4)21(26)24-14(3)20(25)23-12-16-6-5-8-28-16/h5-6,8,10-11,13-14H,7,9,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide?
3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 422.91 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 60597223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).