3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

C21H28N2O3 — CID 110302123

IUPAC3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCC(c2ccco2)N(C)C)C2CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-23(2)19(20-5-4-12-26-20)14-22-21(24)13-18(15-6-7-15)16-8-10-17(25-3)11-9-16/h4-5,8-12,15,18-19H,6-7,13-14H2,1-3H3,(H,22,24)
InChIKeyUOUKJXSXIJWJIO-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.59
Rot. Bonds9

About 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110302123) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110302123
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCC(c2ccco2)N(C)C)C2CC2)cc1
InChIInChI=1S/C21H28N2O3/c1-23(2)19(20-5-4-12-26-20)14-22-21(24)13-18(15-6-7-15)16-8-10-17(25-3)11-9-16/h4-5,8-12,15,18-19H,6-7,13-14H2,1-3H3,(H,22,24)
InChIKeyUOUKJXSXIJWJIO-UHFFFAOYSA-N
XLogP3.59
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110621182
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110297407
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454099
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60549291
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 110302123) is 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NCC(c2ccco2)N(C)C)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is UOUKJXSXIJWJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-23(2)19(20-5-4-12-26-20)14-22-21(24)13-18(15-6-7-15)16-8-10-17(25-3)11-9-16/h4-5,8-12,15,18-19H,6-7,13-14H2,1-3H3,(H,22,24).
What are the key properties of 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110302123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).