N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C21H22N2O4 — CID 120946987

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C21H22N2O4/c24-19-12-22-10-16(19)11-23-21(25)20-8-7-18(27-20)13-26-17-6-5-14-3-1-2-4-15(14)9-17/h1-9,16,19,22,24H,10-13H2,(H,23,25)
InChIKeyRTCVPRFROQRJQW-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.32
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 120946987) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID120946987
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C21H22N2O4/c24-19-12-22-10-16(19)11-23-21(25)20-8-7-18(27-20)13-26-17-6-5-14-3-1-2-4-15(14)9-17/h1-9,16,19,22,24H,10-13H2,(H,23,25)
InChIKeyRTCVPRFROQRJQW-UHFFFAOYSA-N
XLogP2.32
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461074
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 51213609
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
5-(naphthalen-2-yloxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 55345719
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
CID 120948004
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 120946987) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is O=C(NCC1CNCC1O)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is RTCVPRFROQRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19-12-22-10-16(19)11-23-21(25)20-8-7-18(27-20)13-26-17-6-5-14-3-1-2-4-15(14)9-17/h1-9,16,19,22,24H,10-13H2,(H,23,25).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 120946987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).