N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide

C14H22N2O2 — CID 162779664

IUPACN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)c1cocc1CNC1CC1
InChIInChI=1S/C14H22N2O2/c1-4-16(14(17)10(2)3)13-9-18-8-11(13)7-15-12-5-6-12/h8-10,12,15H,4-7H2,1-3H3
InChIKeyZKZVELQHNSXJBG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds6

About N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide

N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide (PubChem CID 162779664) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide
PubChem CID162779664
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)c1cocc1CNC1CC1
InChIInChI=1S/C14H22N2O2/c1-4-16(14(17)10(2)3)13-9-18-8-11(13)7-15-12-5-6-12/h8-10,12,15H,4-7H2,1-3H3
InChIKeyZKZVELQHNSXJBG-UHFFFAOYSA-N
XLogP2.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylfuran-3-yl)formamide
CID 53641024
N-ethyl-4-methylfuran-3-amine
CID 68198124
N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
4-Amino-2-(propylamino)furan-3-carbonitrile
CID 141120274
Ethane;1-[(4-methylfuran-3-yl)amino]propan-2-one
CID 143636996
2-N,2-N,4-N,4-N,3-pentamethylfuran-2,4-diamine
CID 144417232
2-N,4-N,3-trimethylfuran-2,4-diamine
CID 146299904
N-[4-(cyclopropylamino)furan-3-yl]-N-ethyl-2-methylpropanamide
CID 162779667
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylacetamide
CID 166977971
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethylpropanamide
CID 170424095
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylacetamide
CID 170424174
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylpropanamide
CID 170424175

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide (CID 162779664) is N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide is CCN(C(=O)C(C)C)c1cocc1CNC1CC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide?
The InChIKey is ZKZVELQHNSXJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(14(17)10(2)3)13-9-18-8-11(13)7-15-12-5-6-12/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide?
N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]furan-3-yl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 162779664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).