N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C21H30N2O3 — CID 55787034

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCC(c2ccco2)N(C)C)ccc1C(C)C
InChIInChI=1S/C21H30N2O3/c1-14(2)18-10-9-17(12-15(18)3)26-16(4)21(24)22-13-19(23(5)6)20-8-7-11-25-20/h7-12,14,16,19H,13H2,1-6H3,(H,22,24)
InChIKeyLXUGCVCHRJUOPO-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.90
Rot. Bonds8

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 55787034) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID55787034
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(OC(C)C(=O)NCC(c2ccco2)N(C)C)ccc1C(C)C
InChIInChI=1S/C21H30N2O3/c1-14(2)18-10-9-17(12-15(18)3)26-16(4)21(24)22-13-19(23(5)6)20-8-7-11-25-20/h7-12,14,16,19H,13H2,1-6H3,(H,22,24)
InChIKeyLXUGCVCHRJUOPO-UHFFFAOYSA-N
XLogP3.90
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819063
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819070
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 41091288
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
2-(3,4-difluorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110908743
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 19114412

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 55787034) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(OC(C)C(=O)NCC(c2ccco2)N(C)C)ccc1C(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is LXUGCVCHRJUOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)18-10-9-17(12-15(18)3)26-16(4)21(24)22-13-19(23(5)6)20-8-7-11-25-20/h7-12,14,16,19H,13H2,1-6H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 358.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55787034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).