N-but-3-enyl-N-(4-butoxyphenyl)formamide

C15H21NO2 — CID 101481397

IUPACN-but-3-enyl-N-(4-butoxyphenyl)formamide
SMILESC=CCCN(C=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C15H21NO2/c1-3-5-11-16(13-17)14-7-9-15(10-8-14)18-12-6-4-2/h3,7-10,13H,1,4-6,11-12H2,2H3
InChIKeyJAIGFCXETOQINO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.40
Rot. Bonds9

About N-but-3-enyl-N-(4-butoxyphenyl)formamide

N-but-3-enyl-N-(4-butoxyphenyl)formamide (PubChem CID 101481397) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-but-3-enyl-N-(4-butoxyphenyl)formamide.

Molecular Properties

Compound NameN-but-3-enyl-N-(4-butoxyphenyl)formamide
PubChem CID101481397
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-but-3-enyl-N-(4-butoxyphenyl)formamide
SMILESC=CCCN(C=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C15H21NO2/c1-3-5-11-16(13-17)14-7-9-15(10-8-14)18-12-6-4-2/h3,7-10,13H,1,4-6,11-12H2,2H3
InChIKeyJAIGFCXETOQINO-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enylsulfonyl-4-butoxybenzene
CID 23466721
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
N-methyl-N-(4-octoxyphenyl)prop-2-enamide
CID 134245809
N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline
CID 141326120
N-(2-ethoxyethyl)-N-(4-methoxyphenyl)formamide
CID 2038996
1,4-dipentoxybenzene
CID 18314717
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
CID 134246358
(4-non-8-enoxyphenyl) 4-pentoxybenzoate
CID 54371747
(4-pentoxyphenyl) 4-undec-10-enoxybenzoate
CID 54431546
butoxybenzene;propanal
CID 174367271
4-hexoxy-N,N-dimethylaniline
CID 19782341
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-(4-butoxyphenyl)formamide?
The IUPAC name of N-but-3-enyl-N-(4-butoxyphenyl)formamide (CID 101481397) is N-but-3-enyl-N-(4-butoxyphenyl)formamide.
What is the SMILES notation for N-but-3-enyl-N-(4-butoxyphenyl)formamide?
The canonical SMILES for N-but-3-enyl-N-(4-butoxyphenyl)formamide is C=CCCN(C=O)c1ccc(OCCCC)cc1.
What is the InChIKey of N-but-3-enyl-N-(4-butoxyphenyl)formamide?
The InChIKey is JAIGFCXETOQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-5-11-16(13-17)14-7-9-15(10-8-14)18-12-6-4-2/h3,7-10,13H,1,4-6,11-12H2,2H3.
What are the key properties of N-but-3-enyl-N-(4-butoxyphenyl)formamide?
N-but-3-enyl-N-(4-butoxyphenyl)formamide has a molecular weight of 247.34 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-(4-butoxyphenyl)formamide is sourced from PubChem (CID 101481397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).