N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide

C27H35N3O5 — CID 139932924

IUPACN-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
SMILESCOc1cc2c(cc1OC)OCC(C(=O)Nc1cccc(C(=O)NCCN(C(C)C)C(C)C)c1)=C2
InChIInChI=1S/C27H35N3O5/c1-17(2)30(18(3)4)11-10-28-26(31)19-8-7-9-22(13-19)29-27(32)21-12-20-14-24(33-5)25(34-6)15-23(20)35-16-21/h7-9,12-15,17-18H,10-11,16H2,1-6H3,(H,28,31)(H,29,32)
InChIKeyGSTKTQYLLSBZKB-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.97
Rot. Bonds10

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

N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide (PubChem CID 139932924) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
PubChem CID139932924
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC NameN-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
SMILESCOc1cc2c(cc1OC)OCC(C(=O)Nc1cccc(C(=O)NCCN(C(C)C)C(C)C)c1)=C2
InChIInChI=1S/C27H35N3O5/c1-17(2)30(18(3)4)11-10-28-26(31)19-8-7-9-22(13-19)29-27(32)21-12-20-14-24(33-5)25(34-6)15-23(20)35-16-21/h7-9,12-15,17-18H,10-11,16H2,1-6H3,(H,28,31)(H,29,32)
InChIKeyGSTKTQYLLSBZKB-UHFFFAOYSA-N
XLogP3.97
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932885
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
ethyl 3-[(6-bromo-2H-chromene-3-carbonyl)amino]benzoate
CID 22578505
N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86878702
N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
CID 34819371
methyl N-[3-[[4-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 23296372
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide (CID 139932924) is N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide is COc1cc2c(cc1OC)OCC(C(=O)Nc1cccc(C(=O)NCCN(C(C)C)C(C)C)c1)=C2.
What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
The InChIKey is GSTKTQYLLSBZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-17(2)30(18(3)4)11-10-28-26(31)19-8-7-9-22(13-19)29-27(32)21-12-20-14-24(33-5)25(34-6)15-23(20)35-16-21/h7-9,12-15,17-18H,10-11,16H2,1-6H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide?
N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]phenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 139932924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).