2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide

C16H25ClN2O2 — CID 115431978

IUPAC2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)C(CC)(CC)CN
InChIInChI=1S/C16H25ClN2O2/c1-4-9-21-14-8-7-12(17)10-13(14)19-15(20)16(5-2,6-3)11-18/h7-8,10H,4-6,9,11,18H2,1-3H3,(H,19,20)
InChIKeyZOPAXVAHPODQMC-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.83
Rot. Bonds8

About 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide

2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide (PubChem CID 115431978) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide
PubChem CID115431978
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)C(CC)(CC)CN
InChIInChI=1S/C16H25ClN2O2/c1-4-9-21-14-8-7-12(17)10-13(14)19-15(20)16(5-2,6-3)11-18/h7-8,10H,4-6,9,11,18H2,1-3H3,(H,19,20)
InChIKeyZOPAXVAHPODQMC-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 56555388
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-chlorobenzoic acid
CID 115432260
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
3-[(5-chloro-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076804
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide (CID 115431978) is 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide is CCCOc1ccc(Cl)cc1NC(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide?
The InChIKey is ZOPAXVAHPODQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-9-21-14-8-7-12(17)10-13(14)19-15(20)16(5-2,6-3)11-18/h7-8,10H,4-6,9,11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide has a molecular weight of 312.84 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide is sourced from PubChem (CID 115431978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).