4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide

C27H32N2O3 — CID 160905077

IUPAC4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C=C(CNCC1CCOCC1)C2)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C27H32N2O3/c30-27(22-4-7-26(8-5-22)32-18-20-1-2-20)29-25-6-3-23-13-21(14-24(23)15-25)17-28-16-19-9-11-31-12-10-19/h3-8,14-15,19-20,28H,1-2,9-13,16-18H2,(H,29,30)
InChIKeySQAKRYOKUQZCOV-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.68
Rot. Bonds9

About 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide

4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide (PubChem CID 160905077) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide
PubChem CID160905077
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C=C(CNCC1CCOCC1)C2)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C27H32N2O3/c30-27(22-4-7-26(8-5-22)32-18-20-1-2-20)29-25-6-3-23-13-21(14-24(23)15-25)17-28-16-19-9-11-31-12-10-19/h3-8,14-15,19-20,28H,1-2,9-13,16-18H2,(H,29,30)
InChIKeySQAKRYOKUQZCOV-UHFFFAOYSA-N
XLogP4.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 148656711
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide
CID 58111716
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
CID 58111737
N-[3-methyl-2-[(oxan-4-ylmethylamino)methyl]-1H-indol-5-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 70967902
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-(cyclopropylmethoxy)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 60571631
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide (CID 160905077) is 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide is O=C(Nc1ccc2c(c1)C=C(CNCC1CCOCC1)C2)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide?
The InChIKey is SQAKRYOKUQZCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c30-27(22-4-7-26(8-5-22)32-18-20-1-2-20)29-25-6-3-23-13-21(14-24(23)15-25)17-28-16-19-9-11-31-12-10-19/h3-8,14-15,19-20,28H,1-2,9-13,16-18H2,(H,29,30).
What are the key properties of 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide?
4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide has a molecular weight of 432.56 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[2-[(oxan-4-ylmethylamino)methyl]-1H-inden-5-yl]benzamide is sourced from PubChem (CID 160905077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).