N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide

C20H30N2O4 — CID 164629006

IUPACN-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)N[C@H]1CCOC[C@@H]1OCCN(C)C)CCC2
InChIInChI=1S/C20H30N2O4/c1-22(2)8-10-26-19-13-25-9-7-17(19)21-20(23)16-11-14-5-4-6-15(14)12-18(16)24-3/h11-12,17,19H,4-10,13H2,1-3H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyKGUJEEWGZFVYFW-HKUYNNGSSA-N
MW362.47 g/mol
LogP1.65
Rot. Bonds7

About N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide

N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 164629006) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID164629006
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)N[C@H]1CCOC[C@@H]1OCCN(C)C)CCC2
InChIInChI=1S/C20H30N2O4/c1-22(2)8-10-26-19-13-25-9-7-17(19)21-20(23)16-11-14-5-4-6-15(14)12-18(16)24-3/h11-12,17,19H,4-10,13H2,1-3H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyKGUJEEWGZFVYFW-HKUYNNGSSA-N
XLogP1.65
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 91786606
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(3-fluorophenoxy)acetamide
CID 91788685
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
CID 91761529
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91762804
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
CID 91790527
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide (CID 164629006) is N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide is COc1cc2c(cc1C(=O)N[C@H]1CCOC[C@@H]1OCCN(C)C)CCC2.
What is the InChIKey of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is KGUJEEWGZFVYFW-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-22(2)8-10-26-19-13-25-9-7-17(19)21-20(23)16-11-14-5-4-6-15(14)12-18(16)24-3/h11-12,17,19H,4-10,13H2,1-3H3,(H,21,23)/t17-,19-/m0/s1.
What are the key properties of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 164629006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).