5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C17H20N2O3 — CID 91659471

IUPAC5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1ccc(CN)o1)C1CC1
InChIInChI=1S/C17H20N2O3/c1-21-15-5-3-2-4-12(15)11-19(13-6-7-13)17(20)16-9-8-14(10-18)22-16/h2-5,8-9,13H,6-7,10-11,18H2,1H3
InChIKeyDJEGBORCONIUJS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.55
Rot. Bonds6

About 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 91659471) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID91659471
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1ccc(CN)o1)C1CC1
InChIInChI=1S/C17H20N2O3/c1-21-15-5-3-2-4-12(15)11-19(13-6-7-13)17(20)16-9-8-14(10-18)22-16/h2-5,8-9,13H,6-7,10-11,18H2,1H3
InChIKeyDJEGBORCONIUJS-UHFFFAOYSA-N
XLogP2.55
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 33078382
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 86999965
N-cyclopropyl-5-(methoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 78852303
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 46986860
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 91659471) is 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CN(C(=O)c1ccc(CN)o1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is DJEGBORCONIUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-5-3-2-4-12(15)11-19(13-6-7-13)17(20)16-9-8-14(10-18)22-16/h2-5,8-9,13H,6-7,10-11,18H2,1H3.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 91659471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).