N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide

C20H27N3O5 — CID 119666392

IUPACN-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H27N3O5/c1-4-5-7-13(12-21)22-19(24)14-10-17(26-2)18(27-3)11-15(14)23-20(25)16-8-6-9-28-16/h6,8-11,13H,4-5,7,12,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMGNOCIOLZSQMJL-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.80
Rot. Bonds10

About N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide

N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide (PubChem CID 119666392) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
PubChem CID119666392
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H27N3O5/c1-4-5-7-13(12-21)22-19(24)14-10-17(26-2)18(27-3)11-15(14)23-20(25)16-8-6-9-28-16/h6,8-11,13H,4-5,7,12,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMGNOCIOLZSQMJL-UHFFFAOYSA-N
XLogP2.80
TPSA115.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
N-[1-(1-aminohexan-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119667471
N-[4,5-dimethoxy-2-[[(2R)-2-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9456873
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534409
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 119511764
N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 50982846

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide (CID 119666392) is N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide is CCCCC(CN)NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
The InChIKey is MGNOCIOLZSQMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-4-5-7-13(12-21)22-19(24)14-10-17(26-2)18(27-3)11-15(14)23-20(25)16-8-6-9-28-16/h6,8-11,13H,4-5,7,12,21H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 2.80, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminohexan-2-ylcarbamoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 119666392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).