N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide

C27H36N2O6 — CID 139932885

IUPACN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
SMILESCOc1cc2c(cc1OC)OCC(C(=O)Nc1ccc(OC)c(OCCN(C(C)C)C(C)C)c1)=C2
InChIInChI=1S/C27H36N2O6/c1-17(2)29(18(3)4)10-11-34-26-14-21(8-9-22(26)31-5)28-27(30)20-12-19-13-24(32-6)25(33-7)15-23(19)35-16-20/h8-9,12-15,17-18H,10-11,16H2,1-7H3,(H,28,30)
InChIKeyDITYRCRLAAFJBK-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.62
Rot. Bonds11

About N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide (PubChem CID 139932885) has the molecular formula C27H36N2O6 and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
PubChem CID139932885
Molecular FormulaC27H36N2O6
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
SMILESCOc1cc2c(cc1OC)OCC(C(=O)Nc1ccc(OC)c(OCCN(C(C)C)C(C)C)c1)=C2
InChIInChI=1S/C27H36N2O6/c1-17(2)29(18(3)4)10-11-34-26-14-21(8-9-22(26)31-5)28-27(30)20-12-19-13-24(32-6)25(33-7)15-23(19)35-16-20/h8-9,12-15,17-18H,10-11,16H2,1-7H3,(H,28,30)
InChIKeyDITYRCRLAAFJBK-UHFFFAOYSA-N
XLogP4.62
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932924
N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
CID 22459286
3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006317
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(furan-2-yl)acetamide
CID 139919411
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006320
(E)-3-(3,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143460
(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide
CID 70144749
3-(2,4-difluorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 54229269

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide (CID 139932885) is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide is COc1cc2c(cc1OC)OCC(C(=O)Nc1ccc(OC)c(OCCN(C(C)C)C(C)C)c1)=C2.
What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
The InChIKey is DITYRCRLAAFJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O6/c1-17(2)29(18(3)4)10-11-34-26-14-21(8-9-22(26)31-5)28-27(30)20-12-19-13-24(32-6)25(33-7)15-23(19)35-16-20/h8-9,12-15,17-18H,10-11,16H2,1-7H3,(H,28,30).
What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide has a molecular weight of 484.59 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 139932885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).