2-amino-4-butoxy-N-ethyl-3-methoxybenzamide

C14H22N2O3 — CID 162701414

IUPAC2-amino-4-butoxy-N-ethyl-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC)c(N)c1OC
InChIInChI=1S/C14H22N2O3/c1-4-6-9-19-11-8-7-10(14(17)16-5-2)12(15)13(11)18-3/h7-8H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyPMYDGLNNECTAQP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.21
Rot. Bonds7

About 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide

2-amino-4-butoxy-N-ethyl-3-methoxybenzamide (PubChem CID 162701414) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound Name2-amino-4-butoxy-N-ethyl-3-methoxybenzamide
PubChem CID162701414
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-4-butoxy-N-ethyl-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC)c(N)c1OC
InChIInChI=1S/C14H22N2O3/c1-4-6-9-19-11-8-7-10(14(17)16-5-2)12(15)13(11)18-3/h7-8H,4-6,9,15H2,1-3H3,(H,16,17)
InChIKeyPMYDGLNNECTAQP-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.21
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

2-amino-N-ethyl-3-methoxy-4-phenylmethoxybenzamide
CID 154973812
2-amino-N-ethyl-3,4,5-trimethoxybenzamide
CID 18711859
2-amino-4-(2-chloroethoxy)-3-methoxy-N-phenylbenzamide
CID 67576572
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
methyl 3,4-dibutoxy-2-hydroxybenzoate
CID 122417744
methyl 4-butoxy-2-(cyanomethyl)-3-methoxybenzoate
CID 162701408
3-butoxy-2-methoxybenzoic acid
CID 82161610
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
methyl 2-amino-3-butoxybenzoate
CID 61039982
2-dodecoxy-1-N,4-N-dioctylbenzene-1,4-dicarboxamide
CID 101292977

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide?
The IUPAC name of 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide (CID 162701414) is 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide?
The canonical SMILES for 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCC)c(N)c1OC.
What is the InChIKey of 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide?
The InChIKey is PMYDGLNNECTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-6-9-19-11-8-7-10(14(17)16-5-2)12(15)13(11)18-3/h7-8H,4-6,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide?
2-amino-4-butoxy-N-ethyl-3-methoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butoxy-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 162701414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).