N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide

C22H23NO3 — CID 42785941

IUPACN-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O
InChIInChI=1S/C22H23NO3/c1-3-7-21(24)23(13-17-8-5-4-6-9-17)14-18-15-26-20-11-10-16(2)12-19(20)22(18)25/h4-6,8-12,15H,3,7,13-14H2,1-2H3
InChIKeyPMYQRLVKZLLMDU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.43
Rot. Bonds6

About N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide

N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide (PubChem CID 42785941) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide
PubChem CID42785941
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O
InChIInChI=1S/C22H23NO3/c1-3-7-21(24)23(13-17-8-5-4-6-9-17)14-18-15-26-20-11-10-16(2)12-19(20)22(18)25/h4-6,8-12,15H,3,7,13-14H2,1-2H3
InChIKeyPMYQRLVKZLLMDU-UHFFFAOYSA-N
XLogP4.43
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 42786292
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)pentanamide
CID 5044714
N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785956
ethyl 2-[[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]carbamoyl]amino]acetate
CID 3925779
N-benzyl-4-chloro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044642
N-benzyl-2-chloro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044640
N-benzyl-4-fluoro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044638
N-benzyl-4-butoxy-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785964
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-(3-methylbutyl)butanamide
CID 4180359
N-benzyl-2-[(2-chloroacetyl)-prop-2-enylamino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide
CID 4302409
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-3-bromo-N-butylbenzamide
CID 4150092
ethyl 2-[[[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-butylcarbamoyl]amino]acetate
CID 4064065

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide?
The IUPAC name of N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide (CID 42785941) is N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide.
What is the SMILES notation for N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide?
The canonical SMILES for N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide is CCCC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O.
What is the InChIKey of N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide?
The InChIKey is PMYQRLVKZLLMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-7-21(24)23(13-17-8-5-4-6-9-17)14-18-15-26-20-11-10-16(2)12-19(20)22(18)25/h4-6,8-12,15H,3,7,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide?
N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide has a molecular weight of 349.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]butanamide is sourced from PubChem (CID 42785941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).