N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C29H36N2O4 — CID 148656711

IUPACN-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCC1=C(CNCC2CCOCC2)Cc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc21
InChIInChI=1S/C29H36N2O4/c1-20-24(18-30-17-21-10-13-33-14-11-21)15-23-4-7-25(16-28(20)23)31-29(32)22-5-8-26(9-6-22)35-19-27-3-2-12-34-27/h4-9,16,21,27,30H,2-3,10-15,17-19H2,1H3,(H,31,32)/t27-/m0/s1
InChIKeyNMZGFFZIXNQVQM-MHZLTWQESA-N
MW476.62 g/mol
LogP4.84
Rot. Bonds9

About N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 148656711) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID148656711
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC NameN-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCC1=C(CNCC2CCOCC2)Cc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc21
InChIInChI=1S/C29H36N2O4/c1-20-24(18-30-17-21-10-13-33-14-11-21)15-23-4-7-25(16-28(20)23)31-29(32)22-5-8-26(9-6-22)35-19-27-3-2-12-34-27/h4-9,16,21,27,30H,2-3,10-15,17-19H2,1H3,(H,31,32)/t27-/m0/s1
InChIKeyNMZGFFZIXNQVQM-MHZLTWQESA-N
XLogP4.84
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-indol-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 70967902
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide
CID 160905077
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
N-[3-[(cyclopropylmethylamino)methyl]-8-methylquinolin-7-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 58083272

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 148656711) is N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CC1=C(CNCC2CCOCC2)Cc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc21.
What is the InChIKey of N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is NMZGFFZIXNQVQM-MHZLTWQESA-N. The full InChI is InChI=1S/C29H36N2O4/c1-20-24(18-30-17-21-10-13-33-14-11-21)15-23-4-7-25(16-28(20)23)31-29(32)22-5-8-26(9-6-22)35-19-27-3-2-12-34-27/h4-9,16,21,27,30H,2-3,10-15,17-19H2,1H3,(H,31,32)/t27-/m0/s1.
What are the key properties of N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 476.62 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 148656711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).