N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide

C16H26N2O2 — CID 43739403

IUPACN,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)12(4)17-10-13-7-8-15(20-13)14-9-11(14)3/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3
InChIKeyVXCCRKNXMTYANW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.75
Rot. Bonds7

About N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide

N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide (PubChem CID 43739403) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
PubChem CID43739403
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)12(4)17-10-13-7-8-15(20-13)14-9-11(14)3/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3
InChIKeyVXCCRKNXMTYANW-UHFFFAOYSA-N
XLogP2.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

A 317920
CID 10389213
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
Furan-2-carboxamide deriv., 17
CID 44236903
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177
N-{2-[(4-methylcyclohexyl)amino]ethyl}furan-2-carboxamide
CID 3156885
5-(4-acetylphenyl)-N-cycloheptylfuran-2-carboxamide
CID 4879803

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide (CID 43739403) is N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide is CCN(CC)C(=O)C(C)NCc1ccc(C2CC2C)o1.
What is the InChIKey of N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide?
The InChIKey is VXCCRKNXMTYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(6-2)16(19)12(4)17-10-13-7-8-15(20-13)14-9-11(14)3/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide?
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide is sourced from PubChem (CID 43739403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).