acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane

C31H48N4O3 — CID 162025867

IUPACacetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane
SMILESC.C.C.C.CC(N)=O.NC(=O)c1ccccc1.NC(c1ccccc1)c1ccccc1.NCc1ccco1
InChIInChI=1S/C13H13N.C7H7NO.C5H7NO.C2H5NO.4CH4/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6;6-4-5-2-1-3-7-5;1-2(3)4;;;;/h1-10,13H,14H2;1-5H,(H2,8,9);1-3H,4,6H2;1H3,(H2,3,4);4*1H4
InChIKeyYVIZWYLIXWRGRZ-UHFFFAOYSA-N
MW524.75 g/mol
LogP6.29
Rot. Bonds4

About acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane

acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane (PubChem CID 162025867) has the molecular formula C31H48N4O3 and a molecular weight of 524.75 g/mol. Its IUPAC name is acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane.

Molecular Properties

Compound Nameacetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane
PubChem CID162025867
Molecular FormulaC31H48N4O3
Molecular Weight524.75 g/mol
Exact Mass524.37
IUPAC Nameacetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane
SMILESC.C.C.C.CC(N)=O.NC(=O)c1ccccc1.NC(c1ccccc1)c1ccccc1.NCc1ccco1
InChIInChI=1S/C13H13N.C7H7NO.C5H7NO.C2H5NO.4CH4/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6;6-4-5-2-1-3-7-5;1-2(3)4;;;;/h1-10,13H,14H2;1-5H,(H2,8,9);1-3H,4,6H2;1H3,(H2,3,4);4*1H4
InChIKeyYVIZWYLIXWRGRZ-UHFFFAOYSA-N
XLogP6.29
TPSA151.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 56.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-ylmethanamine;methane
CID 20976999
5-(furan-2-yl)-4-phenylpentan-1-amine
CID 140971933
benzoic acid;diphenylmethanamine
CID 3075109
acetic acid;N-benzhydryl-1-(furan-2-yl)ethanimine;diphenylmethanamine;1-(furan-2-yl)ethanone
CID 162243363
acetyl chloride;benzamide
CID 160666659
benzamide;2,3-dimethylbutane
CID 162214835
3-(furan-2-yl)-1,1-diphenylpropan-2-one
CID 83171492
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
CID 67738089
CID 67738089
benzamide;hydron
CID 68819060
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302

Frequently Asked Questions

What is the IUPAC name of acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane?
The IUPAC name of acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane (CID 162025867) is acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane.
What is the SMILES notation for acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane?
The canonical SMILES for acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane is C.C.C.C.CC(N)=O.NC(=O)c1ccccc1.NC(c1ccccc1)c1ccccc1.NCc1ccco1.
What is the InChIKey of acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane?
The InChIKey is YVIZWYLIXWRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C7H7NO.C5H7NO.C2H5NO.4CH4/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6;6-4-5-2-1-3-7-5;1-2(3)4;;;;/h1-10,13H,14H2;1-5H,(H2,8,9);1-3H,4,6H2;1H3,(H2,3,4);4*1H4.
What are the key properties of acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane?
acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane has a molecular weight of 524.75 g/mol, XLogP of 6.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;benzamide;diphenylmethanamine;furan-2-ylmethanamine;methane is sourced from PubChem (CID 162025867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).