(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide

C19H27N3O3 — CID 9454002

IUPAC(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C[C@@H](C)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C19H27N3O3/c1-14(20-13-16(22(2)3)18-10-7-11-25-18)12-19(23)21-15-8-5-6-9-17(15)24-4/h5-11,14,16,20H,12-13H2,1-4H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyWIVRCHJUARYGOA-GDBMZVCRSA-N
MW345.44 g/mol
LogP2.90
Rot. Bonds9

About (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide

(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide (PubChem CID 9454002) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide
PubChem CID9454002
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)C[C@@H](C)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C19H27N3O3/c1-14(20-13-16(22(2)3)18-10-7-11-25-18)12-19(23)21-15-8-5-6-9-17(15)24-4/h5-11,14,16,20H,12-13H2,1-4H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyWIVRCHJUARYGOA-GDBMZVCRSA-N
XLogP2.90
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55332179
3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 110901250
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
CID 9396224
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(furan-2-yl)-N-(2-methoxyphenyl)propanamide
CID 54775011
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 97232185
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26819035

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide?
The IUPAC name of (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide (CID 9454002) is (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)C[C@@H](C)NC[C@H](c1ccco1)N(C)C.
What is the InChIKey of (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide?
The InChIKey is WIVRCHJUARYGOA-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(20-13-16(22(2)3)18-10-7-11-25-18)12-19(23)21-15-8-5-6-9-17(15)24-4/h5-11,14,16,20H,12-13H2,1-4H3,(H,21,23)/t14-,16-/m1/s1.
What are the key properties of (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide?
(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide has a molecular weight of 345.44 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 9454002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).