N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C21H27N3O3 — CID 86798366

IUPACN-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-15(23-21(26)19-9-6-12-27-19)20(25)22-13-18(17-10-11-17)24(2)14-16-7-4-3-5-8-16/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQGAMAASPSHXDKU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.42
Rot. Bonds9

About N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 86798366) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID86798366
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C21H27N3O3/c1-15(23-21(26)19-9-6-12-27-19)20(25)22-13-18(17-10-11-17)24(2)14-16-7-4-3-5-8-16/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQGAMAASPSHXDKU-UHFFFAOYSA-N
XLogP2.42
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119528888
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51163296
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[(1S)-1-[benzyl(methyl)amino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1159803
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 86798366) is N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NCC(C1CC1)N(C)Cc1ccccc1.
What is the InChIKey of N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is QGAMAASPSHXDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(23-21(26)19-9-6-12-27-19)20(25)22-13-18(17-10-11-17)24(2)14-16-7-4-3-5-8-16/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86798366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).