3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide

C20H26N2O3 — CID 119754343

IUPAC3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide
SMILESCCCCOCCOCc1cccc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C20H26N2O3/c1-2-3-10-24-11-12-25-15-16-6-4-9-19(13-16)22-20(23)17-7-5-8-18(21)14-17/h4-9,13-14H,2-3,10-12,15,21H2,1H3,(H,22,23)
InChIKeyKQDZTSMDCSRLQQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.85
Rot. Bonds10

About 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide

3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide (PubChem CID 119754343) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide
PubChem CID119754343
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide
SMILESCCCCOCCOCc1cccc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C20H26N2O3/c1-2-3-10-24-11-12-25-15-16-6-4-9-19(13-16)22-20(23)17-7-5-8-18(21)14-17/h4-9,13-14H,2-3,10-12,15,21H2,1H3,(H,22,23)
InChIKeyKQDZTSMDCSRLQQ-UHFFFAOYSA-N
XLogP3.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.85
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

(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754336
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid
CID 66896866
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide (CID 119754343) is 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide is CCCCOCCOCc1cccc(NC(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide?
The InChIKey is KQDZTSMDCSRLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-3-10-24-11-12-25-15-16-6-4-9-19(13-16)22-20(23)17-7-5-8-18(21)14-17/h4-9,13-14H,2-3,10-12,15,21H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide?
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]benzamide is sourced from PubChem (CID 119754343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).