butanamide;propane;1,3-xylene

C15H27NO — CID 153379124

IUPACbutanamide;propane;1,3-xylene
SMILESCCC.CCCC(N)=O.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C4H9NO.C3H8/c1-7-4-3-5-8(2)6-7;1-2-3-4(5)6;1-3-2/h3-6H,1-2H3;2-3H2,1H3,(H2,5,6);3H2,1-2H3
InChIKeyFHIUNYKIOHKCGQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.99
Rot. Bonds2

About butanamide;propane;1,3-xylene

butanamide;propane;1,3-xylene (PubChem CID 153379124) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is butanamide;propane;1,3-xylene.

Molecular Properties

Compound Namebutanamide;propane;1,3-xylene
PubChem CID153379124
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Namebutanamide;propane;1,3-xylene
SMILESCCC.CCCC(N)=O.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C4H9NO.C3H8/c1-7-4-3-5-8(2)6-7;1-2-3-4(5)6;1-3-2/h3-6H,1-2H3;2-3H2,1H3,(H2,5,6);3H2,1-2H3
InChIKeyFHIUNYKIOHKCGQ-UHFFFAOYSA-N
XLogP3.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze butanamide;propane;1,3-xylene 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

ethane;propane;1,3-xylene
CID 144528046
butanamide
CID 141414886
1-(3-methylphenyl)butan-1-one
CID 4304992
butanamide;dihydrobromide
CID 140988378
potassium;butanamide;hydride
CID 174374590
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
(2S)-5-amino-2-(3-methylphenyl)-5-oxopentanoic acid
CID 176716064
1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide
CID 144706415
ethyl 2-chloro-2-(3-methylphenyl)acetate
CID 22600133
(2R)-2-amino-2-methyl-3-(3-methylphenyl)propanamide
CID 101024424
acetic acid;azane;1,3-xylene
CID 21426934

Frequently Asked Questions

What is the IUPAC name of butanamide;propane;1,3-xylene?
The IUPAC name of butanamide;propane;1,3-xylene (CID 153379124) is butanamide;propane;1,3-xylene.
What is the SMILES notation for butanamide;propane;1,3-xylene?
The canonical SMILES for butanamide;propane;1,3-xylene is CCC.CCCC(N)=O.Cc1cccc(C)c1.
What is the InChIKey of butanamide;propane;1,3-xylene?
The InChIKey is FHIUNYKIOHKCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C4H9NO.C3H8/c1-7-4-3-5-8(2)6-7;1-2-3-4(5)6;1-3-2/h3-6H,1-2H3;2-3H2,1H3,(H2,5,6);3H2,1-2H3.
What are the key properties of butanamide;propane;1,3-xylene?
butanamide;propane;1,3-xylene has a molecular weight of 237.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;propane;1,3-xylene is sourced from PubChem (CID 153379124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).