N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide

C18H22N2O3 — CID 50878655

IUPACN-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(OC)c(N)c2)c1
InChIInChI=1S/C18H22N2O3/c1-3-4-10-23-15-7-5-6-13(11-15)18(21)20-14-8-9-17(22-2)16(19)12-14/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21)
InChIKeyBQWMFIFMDCBRQS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.71
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide

N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide (PubChem CID 50878655) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
PubChem CID50878655
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(OC)c(N)c2)c1
InChIInChI=1S/C18H22N2O3/c1-3-4-10-23-15-7-5-6-13(11-15)18(21)20-14-8-9-17(22-2)16(19)12-14/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21)
InChIKeyBQWMFIFMDCBRQS-UHFFFAOYSA-N
XLogP3.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
CID 70436318
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
1-[(3-butoxybenzoyl)amino]-3-(3,4-dimethoxyphenyl)urea
CID 2955101
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide (CID 50878655) is N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide is CCCCOc1cccc(C(=O)Nc2ccc(OC)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide?
The InChIKey is BQWMFIFMDCBRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-4-10-23-15-7-5-6-13(11-15)18(21)20-14-8-9-17(22-2)16(19)12-14/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide?
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide has a molecular weight of 314.39 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide is sourced from PubChem (CID 50878655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).