(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

C17H29N3O3 — CID 128985685

IUPAC(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C)o2)N(C)C1
InChIInChI=1S/C17H29N3O3/c1-13-6-7-14(23-13)12-20(9-8-18(2)3)17(21)16-10-15(22-5)11-19(16)4/h6-7,15-16H,8-12H2,1-5H3/t15-,16-/m0/s1
InChIKeyITDCHWSCPFDHPL-HOTGVXAUSA-N
MW323.44 g/mol
LogP1.20
Rot. Bonds7

About (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 128985685) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID128985685
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C)o2)N(C)C1
InChIInChI=1S/C17H29N3O3/c1-13-6-7-14(23-13)12-20(9-8-18(2)3)17(21)16-10-15(22-5)11-19(16)4/h6-7,15-16H,8-12H2,1-5H3/t15-,16-/m0/s1
InChIKeyITDCHWSCPFDHPL-HOTGVXAUSA-N
XLogP1.20
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210136
2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 54873875
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
N-[2-(dimethylamino)ethyl]-2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79379409
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
(2S,4S)-N-[(4-cyanophenyl)methyl]-4-methoxy-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 128978454
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63307969
(2S,4S)-4-methoxy-N,1-dimethyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 128975625
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (CID 128985685) is (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C)o2)N(C)C1.
What is the InChIKey of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ITDCHWSCPFDHPL-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13-6-7-14(23-13)12-20(9-8-18(2)3)17(21)16-10-15(22-5)11-19(16)4/h6-7,15-16H,8-12H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128985685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).